Information card for entry 4134266

Structure parameters

• Formula: C21 H26 O5
• Calculated formula: C21 H26 O5
• SMILES: O=C1C=C[C@]2([C@@H]1C)CC[C@@]13[C@H]4O[C@@]2([C@@H]1CC1(OCCO1)[C@@H]3[C@]1(O[C@@H]41)C)C.O=C1C=C[C@@]2([C@H]1C)CC[C@]13[C@@H]4O[C@]2([C@H]1CC1(OCCO1)[C@H]3[C@@]1(O[C@H]41)C)C
• Title of publication: Total Synthesis of (-)-Rhodomollanol A.
• Authors of publication: Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.1451 ± 0.0004 Å
• b: 23.6819 ± 0.0006 Å
• c: 6.64 ± 0.0002 Å
• α: 90°
• β: 93.201 ± 0.001°
• γ: 90°
• Cell volume: 1749.81 ± 0.09 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No