Information card for entry 2213836

Structure parameters

• Common name: roridin H
• Formula: C29 H36 O8
• Calculated formula: C29 H36 O8
• SMILES: C1OC(=O)C=C(C[C@@H]2O[C@H]([C@H](C=CC=CC(=O)O[C@H]3[C@]4([C@]5([C@H](O[C@@H]6C=C(CC[C@]146)C)C3)OC5)C)O2)C)C
• Title of publication: Roridin H
• Authors of publication: Gai, Yue; Zhao, Ling-Ling; Hu, Chang-Qi; Zhang, Hui-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2990 - o2991
• a: 10.259 ± 0.006 Å
• b: 8.989 ± 0.005 Å
• c: 14.29 ± 0.008 Å
• α: 90°
• β: 96.41 ± 0.007°
• γ: 90°
• Cell volume: 1309.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes