Information card for entry 7153989

Structure parameters

• Formula: C32 H30 O16
• Calculated formula: C32 H30 O16
• SMILES: o1c(C)cc(=O)c2c(O)c3[C@@H](O)[C@]4(O[C@@]4(OC)C(=O)c3cc12)[C@@]12O[C@@]2(OC)C(=O)c2c(c(O)c3c(=O)cc(oc3c2)C)[C@H]1O.OC.OC
• Title of publication: Diaporine, a novel endophyte-derived regulator of macrophage differentiation.
• Authors of publication: Wu, Hao Chen; Ge, Hui Ming; Zang, Le Yun; Bei, Yun Cheng; Niu, Zhi Yuan; Wei, Wei; Feng, Xiu Jing; Ding, Sen; Ng, Seik Weng; Shen, Ping Ping; Tan, Ren Xiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 34
• Pages of publication: 6545 - 6548
• a: 11.1108 ± 0.00007 Å
• b: 14.8838 ± 0.0001 Å
• c: 17.8512 ± 0.0001 Å
• α: 90°
• β: 90.9022 ± 0.0006°
• γ: 90°
• Cell volume: 2951.7 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7153952
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No