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Information card for entry 7150902
Preview
Coordinates | 7150902.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H39 N O Si2 |
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Calculated formula | C31 H39 N O Si2 |
SMILES | [Si]1(c2ccccc2CC1)(C(C)(C)C)OC(C#C[Si](C)(C)C)(c1ccc(cc1)C)Cc1ncccc1 |
Title of publication | Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane |
Authors of publication | Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2008 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 1435 - 1440 |
a | 10.2158 ± 0.0003 Å |
b | 10.5173 ± 0.0003 Å |
c | 16.3911 ± 0.0005 Å |
α | 72.213 ± 0.002° |
β | 81.203 ± 0.002° |
γ | 61.845 ± 0.003° |
Cell volume | 1478.42 ± 0.09 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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