Information card for entry 1555660

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: O1C(=O)C2=C([C@]3([C@H](OC(=O)C3)[C@]3([C@@H]2C(=O)CC3)C)C)C[C@@H]1c1cocc1
• Title of publication: Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides.
• Authors of publication: Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4274 - 4276
• a: 10.2949 ± 0.0004 Å
• b: 10.4128 ± 0.0005 Å
• c: 16.2831 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.53 ± 0.13 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: 0.0529
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No