Information card for entry 1517504

Structure parameters

• Formula: C20 H30 O6
• Calculated formula: C20 H30 O6
• SMILES: O[C@@H]1[C@@H]2[C@@](O)(C([C@H]1O)(C)C)[C@H](O)C[C@]13[C@H](C2=C)[C@H]2O[C@]([C@H](C2)[C@H]1O)(C3)C
• Title of publication: Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.
• Authors of publication: Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4320 - 4323
• a: 7.359 ± 0.003 Å
• b: 12.959 ± 0.003 Å
• c: 19.109 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1822.3 ± 1 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: 0.1277
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No