Information card for entry 1543976

Structure parameters

• Formula: C30 H38 O11
• Calculated formula: C30 H38 O11
• SMILES: OC.C1(=O)[C@](C(=O)C([C@H]([C@H](C(=O)OC)OC(=O)C)[C@@H]1C)(C)C)(CC1=CCC[C@@]2(C1=CC(=O)O[C@H]2c1ccoc1)C)O
• Title of publication: Thaixylomolins O–R: four new limonoids from the Trang mangrove, Xylocarpus moluccensis
• Authors of publication: Dai, Yi-Guo; Li, Wan-Shan; Pedpradab, Patchara; Liu, Jun-Jun; Wu, Jun; Shen, Li
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 89
• Pages of publication: 85978 - 85984
• a: 12.4747 ± 0.0003 Å
• b: 8.9839 ± 0.0001 Å
• c: 13.2402 ± 0.0003 Å
• α: 90°
• β: 107.131 ± 0.002°
• γ: 90°
• Cell volume: 1418.02 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No