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Information card for entry 1502349
Preview
Coordinates | 1502349.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H34 O |
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Calculated formula | C36 H34 O |
SMILES | C1c2ccccc2CC21CCc1ccccc1[C@@H]2O[C@H]1c2ccccc2CCC21Cc1ccccc1C2.C1c2ccccc2CC21CCc1ccccc1[C@H]2O[C@@H]1c2ccccc2CCC21Cc1ccccc1C2 |
Title of publication | An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones. |
Authors of publication | Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 16 |
Pages of publication | 4304 - 4307 |
a | 10.3318 ± 0.0003 Å |
b | 18.3947 ± 0.0005 Å |
c | 14.2896 ± 0.0004 Å |
α | 90° |
β | 108.039 ± 0.003° |
γ | 90° |
Cell volume | 2582.25 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1098 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502349.html
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