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Information card for entry 4070153
Preview
Coordinates | 4070153.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H29 N4 O2 Y |
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Calculated formula | C31 H29 N4 O2 Y |
SMILES | [Y]123456789%10([n]%11c(N1C(=O)N(c1ccccc1)C(Nc1ccccc1)=[O]2)cccc%11)([cH]1[c]%10([cH]5[cH]4[cH]31)C)[c]1([cH]6[cH]7[cH]8[cH]91)C |
Title of publication | Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands |
Authors of publication | Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 21 |
Pages of publication | 6320 |
a | 10.391 ± 0.005 Å |
b | 9.065 ± 0.004 Å |
c | 14.741 ± 0.007 Å |
α | 90° |
β | 103.854 ± 0.005° |
γ | 90° |
Cell volume | 1348.1 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1166 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4070153.html
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