Information card for entry 1546797

Structure parameters

• Formula: C9 H11 O
• Calculated formula: C9 H11 O
• Title of publication: Crystal Structure of 17alpha-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory
• Authors of publication: James A. Kaduk; Amy M. Gindhart; Thomas N. Blanton
• Journal of publication: Crystals
• Year of publication: 2017
• Journal volume: 7
• Pages of publication: 218
• a: 6.768729 ± 0.000013 Å
• b: 8.96849 ± 0.000011 Å
• c: 23.39031 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1419.92 ± 0.004 ų
• 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
• RFsqd: 0.13604
• Goodness-of-fit parameter for all reflections: 1.49
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.413342 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No