Information card for entry 7102968

Structure parameters

• Formula: C45 H67 O3.5
• Calculated formula: C45 H67 O3.5
• Title of publication: Bio-inspired polyene cyclization: synthesis of tetracyclic terpenoids promoted by steroidal acetal-SnCl4.
• Authors of publication: Zhao, Yu-Jun; Loh, Teck-Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1434 - 1436
• a: 7.5767 ± 0.0002 Å
• b: 15.6119 ± 0.0004 Å
• c: 33.9875 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020.27 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No