Information card for entry 1546527

Structure parameters

• Formula: C20 H32 O7.5
• Calculated formula: C20 H32 O7.5
• SMILES: O[C@H]1[C@@]2(O)[C@@H]([C@@H]3O[C@@H]3C2(C)C)[C@@]2(O[C@@H]3[C@]4(C1)[C@H]2C[C@H](O)[C@@H]4C(=C3)C)C.O.O.O
• Title of publication: Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.
• Authors of publication: Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 3935 - 3938
• a: 39.283 ± 0.005 Å
• b: 7.0114 ± 0.0009 Å
• c: 7.3524 ± 0.0009 Å
• α: 90°
• β: 94.433 ± 0.002°
• γ: 90°
• Cell volume: 2019 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No