Information card for entry 2012546

Structure parameters

• Common name: stigmasterol hemihydrate
• Chemical name: stigmasta-5,22-dien-3β-ol hemihydrate
• Formula: C29 H49 O1.5
• Calculated formula: C29 H49 O1.5
• Title of publication: Stigmasterol hemihydrate
• Authors of publication: Benavides, Gloria A.; Fronczek, Frank R.; Fischer, Nikolaus H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o131 - o132
• a: 9.367 ± 0.002 Å
• b: 7.5127 ± 0.0015 Å
• c: 36.857 ± 0.007 Å
• α: 90°
• β: 93.184 ± 0.009°
• γ: 90°
• Cell volume: 2589.7 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.09
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes