Information card for entry 2239733

Structure parameters

• Chemical name: 3β-Hydroxy-28-norolea-12,17-dien-11-one
• Formula: C29 H44 O2
• Calculated formula: C29 H44 O2
• Title of publication: 3β-Hydroxy-28-norolea-12,17-dien-11-one
• Authors of publication: Seebacher, Werner; Weis, Robert; Faist, Johanna; Saf, Robert; Belaj, Ferdinand
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o842
• a: 12.2678 ± 0.0005 Å
• b: 16.0544 ± 0.0006 Å
• c: 12.9903 ± 0.0005 Å
• α: 90°
• β: 104.448 ± 0.002°
• γ: 90°
• Cell volume: 2477.55 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes