Information card for entry 1544246

Structure parameters

• Formula: C21.5 H26 O6.5
• Calculated formula: C21.5 H25.5 O6.5
• SMILES: Oc1cc(OC)c(cc1)C(=O)C[C@H]1[C@H](C(O)(C)C)Cc2c(O)c(O)ccc12.Oc1ccc(c(OC)c1)C(=O)C[C@@H]1[C@@H](C(O)(C)C)Cc2c(O)c(O)ccc12.OC
• Title of publication: Structural Characterization and Assessment of the Cytotoxicity of 2,3-Dihydro-1H-indene Derivatives and Coumarin Glucosides from the Bark of Streblus indicus.
• Authors of publication: He, Ruijie; Huang, Xishan; Zhang, Yanjun; Wu, Liangdeng; Nie, Hui; Zhou, Dexiong; Liu, Buming; Deng, Shengping; Yang, Ruiyun; Huang, Shuai; Nong, Zhijie; Li, Jun; Huang, Yan
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 10
• Pages of publication: 2472 - 2478
• a: 8.9728 ± 0.0004 Å
• b: 13.5806 ± 0.0006 Å
• c: 16.6376 ± 0.0007 Å
• α: 93.952 ± 0.002°
• β: 103.777 ± 0.002°
• γ: 90.502 ± 0.002°
• Cell volume: 1963.72 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No