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      • C_(26)H_(38)N_(6)O₄Ni 의 결정 구조

        김문집,홍현표 순천향대학교 기초과학연구소 2011 순천향자연과학연구 Vol.17 No.2

        The structure of C_(26)H_(38)N_(6)O₄Ni has been determined by X-ray diffraction method. The crystal is Triclinic, Space group PI^_, unit cell constants, a = 31.1204(14)Å, b = 10.9622(19)Å, c=18.1212(7)Å, α=90˚, β=98.57(94)˚, γ=90˚ V=6113.05(63)ų, T=296.62K, Z=8, D_(c)=1.3608Mgm^(-3). The intensity data were collected on an Enraf-Nonius CAD4 diffractometer with graphite monochromated CuKα radiation (λ=1.54184Å). The molecular structure was solved to by Direct method and refined by full-matrix least squares to a final R=9.8733 for 2998 unique observed F_(0)>4σ(F_(0)) reflections and 343 parameters.

      • C_(13)H_(12)N₂OCu½Cl 의 결정 구조

        김문집,전기배 순천향대학교 기초과학연구소 2008 순천향자연과학연구 Vol.14 No.2

        The structure of C_(13)H_(12)N₂OCu½Cl has been determined by X-ray diffraction methods. The crystal system is monoclinic, space group P1^( ̄), unit cell constants, a=8.705(3)Å, b=9.818(3)Å, c=9.822(4)Å, α=111.28(2)˚, β=96.75(5)˚, γ=90.25(4)˚, V=775.8(5)ų, T= 293(2)K, Z=2, D_(C) = 1.402Mgm^(-)³. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Cu Ka radiation (λ=1.54184Å). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R = 5.76% for 2684 unique observed F_(0) > 4σ(F_(0)) reflections and 188 parameters.

      • C_(15)H_(9)O₂NCl₂ 의 결정 구조

        김문집,전기배 순천향대학교 기초과학연구소 2007 순천향자연과학연구 Vol.13 No.2

        The structure of C_(15)H_(9)O₂NCl₂ has been determined by X-ray diffraction methods. The crystal system is monoclinic, space group P2₁/α, unit cell constants, α = 14.603(l)Å, b = 6.162(1)Å, c = 15.685(1)Å, β = 112.233(6)˚, V = 1306.45(17)ų, T = 293(2)K, Z=4, D_(c)= 1.556Mgm^(-3). The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Cц Kα radiation (λ = 1.54184Å). The molecular structure was solved by direct methods and refined by full-matrix least squares tu a final R = 7.26% fur 1405 unique observed F_(0)> 4σ(F_(0)) reflections and 181 parameters.

      • C_(28)H_(54)N₄O₄Ni 의 결정 구조

        김문집,홍현표 순천향대학교 기초과학연구소 2011 순천향자연과학연구 Vol.17 No.1

        The structure of C_(28)H_(54)N₄O₄Ni has been determined by X-ray diffraction methods. The crystal system is Monoclinic, space group P□, unit cell constants, a = 8.9424(4)Å, b = 10.1776(5)Å, α=62.50(1)˚, β=87.31(1)˚, γ=66.04(1)˚ V=752.71ų, T=294.9K, Z=1, D_(c)=1.3269Mgm^(-3). The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Mo Ka radiation (λ=0.71073Å). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R=6.85% for 2321 unique observed F_(0)>4σ(F_(0)) reflections and 194 parameters.

      • C_(20)H_(22)N₂O₂MnCl 의 결정 구조

        김문집,전기배 순천향대학교 기초과학연구소 2007 순천향자연과학연구 Vol.13 No.2

        The structure of C_(20)_H_(22)N₂O₂MnCl has been determined by X-ray diffractiun methods. The crystal system is monoclinic, space group P2₁/α, unit cell constants, α = 14.8967(27) Å, b= 18.6446 (36)Å, c = 6.8836(7)Å, β = 92.32(2)˚, V = 1910.30(15) ų, T=293(2)K, Z=4, D_(c) = 1.435Mgm^(-3). The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Mo Kα radiation(λ = 0.71073 Å). The molecular structure was sulved by direct methods and refined by full-matrix least squares to a final R=6.73% for 1670 unique observed F_(0)>4σ(F_(0)) reflections and 239 parameters.

      • $C_{16}H_{19}O_2N_3CuCl_2\;{\cdot}\;H_2O$의 결정 구조

        김문집,김영수,최기영,Kim,Moon-Jib,Kim,Young-Soo,Choi,Ki-Young 한국결정학회 2004 韓國結晶學會誌 Vol.15 No.2

        X-선 회절법을 이용하여 $C_{16}H_{19}O_2N_3CuCl_2\;{\cdot}\;H_2O$의 분자 및 결정구조를 해석하였다. 이 결정의 결정계는 Triclinic이고 공간군은 Pl이며, 단위포 상수는 $a=7.6202(9)\;{\AA},\;b=8.5943(7){\AA},\;c= 8.6272(6){\AA},\;\alpha=67.518(6)^{\circ},\; \beta= 68.043(8)^{\circ},\;\gamma=74.370(8)^{\circ},\;V=478.89(8)\;{\AA}^3,\;T=295K,\; Z=1,\;D_c=1.504Mgm^{-3}$이다. 회절반점들의 세기는 Enraf-Nonius CAD-4 Diffractometer로 얻었으며 graphite로. 단색화한 $MoK{\alpha}$,$(\alpha=0.7107\;\AA)$을 사용하였다. 분자구조는 Direct method로 풀었으며, $F_0>4\sigma(F_0)$인 1659개의 독립회절데이터에 대하여 최소 자승법으로 234개의 변수를 정밀화하여 최종 신뢰도 값 $R=2.47\%$를 얻었다. The structure of $C_{16}H_{19}O_2N_3CuCl_2\;{\cdot}\;H_2O$ has been determined by X-ray diffraction methods. The crystal system is triclinic, space group Pl, unit cell constants. $a=7.6202(9)\; \AA,\; b=8.5943(7) \AA,\; c= 8.6272(6) \AA,\; \alpha= 67.518(6)^{\circ}.\; \beta= 68.043(8)^{\circ},\; \gamma=74.370(8)^{\circ},\; V=478.89(8)\; \AA^3,\; T=295K,\; Z=1,\; D_c=1.504Mgm^{-3}$The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated $MoK\alpha$ radiation $(\alpha=0.7107\;\AA)$. The molecular structure was solved by direct method.』 and refined by full-matrix least squares to a final $R=2.47\%$ for 1659 unique observed $F_0>4\sigma(F_0)$ reflections and 234 parameters.

      • C_{28}H_{41}N_4O_4Br\;{\cdot}\;2H_2O$의 결정구조

        김문집,이정아,조경진,최기영,Kim,Moon-Jib,Lee,Jung-Ah,Jo,Kyung-Jin,Choi,Ki-Young 한국결정학회 2004 韓國結晶學會誌 Vol.15 No.2

        X-선 회절법을 이용하여 C_{28}H_{41}N_4O_4Br\;{\cdo}t\;2H_2O$의 분자 및 결정구조를 해석하였다. 이 결정의 결정계는 Triclinic이고 공간군은 Pl이며, 단위포 상수 a=9.000(1) $\AA$, b=9.312(3) $\AA$, c=9.344(2) $\AA$, $\alpha=89.37(20)^{\circ},\;\beta=68.81(3)^{\circ},\;\gamma=84.70(4)^{\circ},\;V=726.7(8){\AA},\;T=298K,\;Z=1,\;D_c=1.402Mgm^{-3}$이다. 회절반점들의 세기는 Enraf-Nonius CAD4 Diffractometer로 얻었으며 사용한 X-선은 graphite로 단색화한 $MoK{\alpha}$선$(\lambda=0.71073\;{\AA}$을 사용하였다. 분자구조는 Direct method로 풀었으며, $F_o>4{\sigma}(F_0)$인 2521개의 독립 회절 데이터에 대하여 최소 자승법으로 370개의 변수를 정밀화하여 최종 신뢰도 값 $R=5.95\%$를 얻었다. The structure of C_{28}H_{41}N_4O_4Br\;{\cdot}\;2H_2O$ has been determined by X-ray deffraction methods. The crystal system is triclinic, space group Pl, unit cell constants, a=9.000(1) $\AA$, b=9.312(3) $\AA$, c=9.344(2) $\AA$, $\alpha=89.37(20)^{\circ},\;\beta=68.81(3)^{\circ},\;\gamma=84.70(4)^{\circ},\;V=726.7(8){\AA},\;T=298K,\;Z=1,\;D_c=1.402Mgm^{-3}$. The intensity data were collected on an Enraf-Nonius CAD4 Diffractometer with graphite monochromated $MoK\alpha$ radiation $(\lambda=0.71073\;{\AA}$. The molecular structure was solved by direct methods and refined by full-matrix least squares to a final $R=5.95\%$ for 2521 unique observed $F_0>4\sigma(F_0)$reflections and 370 parameters.

      • Cantharidin$(C_{10}H_{12}O_{4})$의 결정 구조

        김문집,박호종,김대영,이종수 한국결정학회 2002 韓國結晶學會誌 Vol.13 No.2

        X-선 회절법을 이용하여 Cantharidin(Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione, C/sub 10/H/sub 12/O/sub 4/)의 결정구조를 규명하였다. 이 결정의 결정계는 사방정계이며 공간군은 Pna2/sub 1/ 이다. 단위포 상수는 a=11.0731(9) (equation omitted), b=6.7344(4) (equation omitted), c=12.5000(9) (equation omitted), α=β=γ=90°, V=932.13(12) (equation omitted), T=296K, Z=4, D/sub c/=1.398Mgm/sup -3/이다. 회절반점들의 세기는 Enraf-Nonius CAD-4 Diffractometer로 얻었으며 MoKα선(λ=0.71073(equation omitted))을 사용하였다 분자구조는 직접법으로 풀었으며, F/sub o/>4σ(F/sub o/)인 759개의 독립 회절 데이터에 대하여 최소자승법으로 140개의 변수를 정밀화하여 최종 신뢰도 값 R=4.42%을 얻었다. The structure of Cantharidin (Hexahydro-3a,7a-dimethy1-4,7-epoxyisobenzofuran-1,3-dione, C/sub 10/H/sub 12/O/sub 4/)has been determined by X-ray diffraction methods. The crystal system is orthorhombic, space group Pna2/sub 1/, unit cell constants, a=11.0731(9) (equation omitted), b=6.7344(4) (equation omitted), c=12.5000(9) (equation omitted), α=β=γ=90°, V=932.13(12) (equation omitted), T=296K, Z=4, D/sub c/=1.398Mgm/sup -3/. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated MoKα radiation(λ=0.71073(equation omitted)). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R=4.42% for 759 unique observed F/sub o/>4σ(F/sub o/) reflections and 140 parameters.

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