Information card for entry 7203354

Structure parameters

• Formula: C38 H62 O5
• Calculated formula: C38 H62 O5
• SMILES: O.O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)[C@@H](CC[C@@H]21)C[C@H](O)CC3
• Title of publication: Clarification of the crystalline forms of androsterone
• Authors of publication: Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 309
• a: 7.4288 ± 0.0008 Å
• b: 10.2892 ± 0.0011 Å
• c: 22.174 ± 0.002 Å
• α: 90°
• β: 97.553 ± 0.002°
• γ: 90°
• Cell volume: 1680.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No