Information card for entry 1502813

Structure parameters

• Formula: C18 H26 O2
• Calculated formula: C18 H26 O2
• SMILES: C1=CC(=O)C(=C)[C@]2(CC[C@@H]3[C@@]([C@@H]12)(CC[C@](C3)(C)O)C)C
• Title of publication: Dolabranes from the Chinese Mangrove,Ceriops tagal
• Authors of publication: Hu, Wei-Min; Li, Min-Yi; Li, Jun; Xiao, Qiang; Feng, Gang; Wu, Jun
• Journal of publication: Journal of Natural Products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 10
• Pages of publication: 1701
• a: 10.9891 ± 0.0007 Å
• b: 21.7404 ± 0.0013 Å
• c: 12.9098 ± 0.0008 Å
• α: 90°
• β: 99.167 ± 0.001°
• γ: 90°
• Cell volume: 3044.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No