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Information card for entry 4029511
Preview
Coordinates | 4029511.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H28 O4 |
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Calculated formula | C19 H28 O4 |
SMILES | O[C@@H]1CC[C@H]2[C@@H](C1)CC[C@@H]1[C@@H]2CC[C@H]2[C@H]1CC(=O)[C@@H]2C(=O)OC |
Title of publication | Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol. |
Authors of publication | Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 12 |
Pages of publication | 5636 - 5643 |
a | 7.2917 ± 0.0012 Å |
b | 12.21 ± 0.002 Å |
c | 9.926 ± 0.0017 Å |
α | 90° |
β | 107.842 ± 0.008° |
γ | 90° |
Cell volume | 841.2 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0843 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4029511.html
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Users of the data should acknowledge the original authors of the
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