Information card for entry 2003682

Structure parameters

• Formula: C29 H32 O3
• Calculated formula: C29 H32 O3
• SMILES: O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C.Oc1ccc2c(c1)cccc2
• Title of publication: On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols
• Authors of publication: Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1319 - 1322
• a: 19.058 ± 0.002 Å
• b: 19.209 ± 0.002 Å
• c: 6.275 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2297.2 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0456
• Goodness-of-fit parameter for significantly intense reflections: 4.581
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No