Information card for entry 7203355

Structure parameters

• Common name: Androsterone
• Chemical name: Androsterone
• Formula: C19 H30 O2
• Calculated formula: C19 H30 O2
• SMILES: O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@@H]3CC[C@@H]21
• 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: 9.4045 ± 0.0009 Å
• b: 7.9586 ± 0.0008 Å
• c: 11.6746 ± 0.0012 Å
• α: 90°
• β: 111.274 ± 0.002°
• γ: 90°
• Cell volume: 814.26 ± 0.14 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: 0.0438
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No