Information card for entry 4034162

Structure parameters

• Formula: C30 H32 O7
• Calculated formula: C30 H32 O7
• SMILES: O1[C@@H](O[C@]23OC(=O)C(=C2C[C@@H]2[C@@](C)([C@H]13)[C@H]1[C@@H](C2=C)C1)C)[C@@]1(C)[C@H]2[C@@H](C(=C)[C@@H]1CC1=C(C(=O)OC1=O)C)C2
• Title of publication: Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.
• Authors of publication: Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 14
• Pages of publication: 9117 - 9126
• a: 7.5297 ± 0.0006 Å
• b: 18.5627 ± 0.0015 Å
• c: 18.726 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0279
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No