Information card for entry 1501796

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O1[C@@]23C=CC[C@@H]([C@]2([C@H](C(=O)CC3)[C@@H]([C@H]1O)C)C)C
• Title of publication: Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava.
• Authors of publication: Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 169 - 174
• a: 6.7198 ± 0.0002 Å
• b: 12.2064 ± 0.0004 Å
• c: 8.2198 ± 0.0002 Å
• α: 90°
• β: 107.746 ± 0.001°
• γ: 90°
• Cell volume: 642.14 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No