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Information card for entry 2012263
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| Coordinates | 2012263.cif |
|---|---|
| Structure factors | 2012263.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4-dimethyl-23-phenyl-22-oxa-24-nor-5α-cholane-8,14-dien-3β-ol‒water (4/1) |
|---|---|
| Formula | C120 H170 O9 |
| Calculated formula | C120 H170 O9 |
| Title of publication | Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds |
| Authors of publication | Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | 1177 - 1181 |
| a | 64.902 ± 0.004 Å |
| b | 7.2926 ± 0.0014 Å |
| c | 11.1447 ± 0.0011 Å |
| α | 90° |
| β | 96.055 ± 0.013° |
| γ | 90° |
| Cell volume | 5245.4 ± 1.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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