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Information card for entry 4032658
Preview
Coordinates | 4032658.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H26 O3 Si |
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Calculated formula | C15 H26 O3 Si |
SMILES | [Si](O[C@@H]1[C@@H](O)[C@]2([C@H]3C(=O)C[C@@H]1[C@@H]23)C)(C)(C)C(C)(C)C |
Title of publication | Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones. |
Authors of publication | Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 15 |
Pages of publication | 8008 - 8022 |
a | 18.9377 ± 0.0005 Å |
b | 6.2442 ± 0.0001 Å |
c | 14.6275 ± 0.0005 Å |
α | 90° |
β | 105.95 ± 0.003° |
γ | 90° |
Cell volume | 1663.12 ± 0.08 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for all reflections | 0.0802 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9905 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4032658.html
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