Information card for entry 7109551

Structure parameters

• Formula: C24 H24 O8
• Calculated formula: C24 H24 O8
• SMILES: O=C(Oc1ccc(C2C(C(C2C(=O)OC)c2ccc(cc2)OC(=O)C)C(=O)OC)cc1)C
• Title of publication: Two novel innovanoside dimers from Daphne aurantiaca and a concise total synthesis of diinnovanoside A
• Authors of publication: Shuang Liang; Shan-Xiang Liu; Hui-Zi Jin; Lei Shan; Shi-Chong Yu; Yun-Heng Shen; Hui-Liang Li; Qiu-Ye Wu; Qing-Yan Sun; Wei-Dong Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6968
• a: 14.0632 ± 0.0014 Å
• b: 7.2591 ± 0.0007 Å
• c: 11.4968 ± 0.0011 Å
• α: 90°
• β: 111.238 ± 0.001°
• γ: 90°
• Cell volume: 1093.95 ± 0.18 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0458
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No