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Information card for entry 4107925
Preview
Coordinates | 4107925.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H30 Br N O3 |
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Calculated formula | C37 H30 Br N O3 |
SMILES | Brc1cccc([C@@](OCc2c3ccccc3cc3c2cccc3)(C(=O)OC)[C@@H](Nc2ccccc2)c2ccccc2)c1 |
Title of publication | Cooperative Catalysis with Chiral Brønsted Acid-Rh2(OAc)4: Highly Enantioselective Three-Component Reactions of Diazo Compounds with Alcohols and Imines |
Authors of publication | Wenhao Hu; Xinfang Xu; Jing Zhou; Wei-Jun Liu; Haoxi Huang; Juan Hu; Liping Yang; Liu-Zhu Gong |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 7782 - 7783 |
a | 6.6746 ± 0.0005 Å |
b | 20.6662 ± 0.0016 Å |
c | 22.0533 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3042 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0799 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
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/4107925.html
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