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Information card for entry 7151032
Preview
Coordinates | 7151032.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H22 O4 |
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Calculated formula | C13 H22 O4 |
SMILES | [C@H]1(C[C@]2([C@H]3[C@@H](C[C@@H]([C@H]2O1)O)O3)CO)C(C)(C)C.[C@@H]1(C[C@@]2([C@@H]3[C@H](C[C@H]([C@@H]2O1)O)O3)CO)C(C)(C)C |
Title of publication | Directed epoxidation of cyclohexa-1,4-dienes‒stereoselective formation of up to six contiguous stereogenic centres |
Authors of publication | Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2008 |
Journal volume | 6 |
Journal issue | 23 |
Pages of publication | 4426 - 4434 |
a | 11.8532 ± 0.0003 Å |
b | 7.1565 ± 0.0002 Å |
c | 16.0428 ± 0.0004 Å |
α | 90° |
β | 102.421 ± 0.001° |
γ | 90° |
Cell volume | 1329.02 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.1026 |
Residual factor for significantly intense reflections | 0.0752 |
Weighted residual factors for significantly intense reflections | 0.1923 |
Weighted residual factors for all reflections included in the refinement | 0.213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/7151032.html
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Users of the data should acknowledge the original authors of the
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