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Information card for entry 1504041
Preview
Coordinates | 1504041.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H40 Fe N2 O P2 |
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Calculated formula | C41 H38 Fe N2 O P2 |
SMILES | [Fe]12345678([c]9(P(c%10ccccc%10)c%10ccccc%10)[c]1([cH]2[cH]3[cH]49)[C@H](n1ccnc1P(c1ccccc1)c1ccccc1)C(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51.O |
Title of publication | Enantioselective Rh-catalyzed hydrogenation of 3-aryl-2-phosphonomethylpropenoates by a new class of chiral ferrocenyl diphosphine ligands. |
Authors of publication | Wang, Dao-Yong; Hu, Xiang-Ping; Hou, Chuan-Jin; Deng, Jun; Yu, Sai-Bo; Duan, Zheng-Chao; Huang, Jia-Di; Zheng, Zhuo |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 15 |
Pages of publication | 3226 - 3229 |
a | 9.7307 ± 0.0006 Å |
b | 10.9784 ± 0.0006 Å |
c | 33.3226 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3559.8 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0788 |
Weighted residual factors for all reflections included in the refinement | 0.084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/1504041.html
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Users of the data should acknowledge the original authors of the
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