Information card for entry 1506483

Structure parameters

• Formula: C27 H40 O3
• Calculated formula: C27 H40 O3
• Title of publication: New hemiketal steroid from the soft coral Cladiella sp.
• Authors of publication: Zhang, Guang-Wen; Ma, Xiang-Quan; Kurihara, Hiroshi; Zhang, Cui-Xian; Yao, Xin-Sheng; Su, Jing-Yu; Zeng, Long-Mei
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 991 - 994
• a: 12.0167 ± 0.0016 Å
• b: 13.6419 ± 0.0019 Å
• c: 29.948 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4909.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1299
• 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: No