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Information card for entry 4023108
Preview
Coordinates | 4023108.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H58 Mo N2 O4 |
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Calculated formula | C44 H58 Mo N2 O4 |
SMILES | c1(ccccc1)[C@@H]1[C@@H](c2ccccc2)[NH]2Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O[Mo]32([NH]1Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)(=O)=O |
Title of publication | Enantioselective Pinacol Coupling of Aryl Aldehydes Catalyzed by Chiral Salan-Mo(IV) Complexes |
Authors of publication | Hongwei Yang; Hongsong Wang; Chengjian Zhu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 10029 - 10034 |
a | 9.3625 ± 0.0006 Å |
b | 15.8704 ± 0.001 Å |
c | 29.0242 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4312.6 ± 0.5 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.0743 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1267 |
Weighted residual factors for all reflections included in the refinement | 0.1299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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