Information card for entry 1501815

Structure parameters

• Formula: C32 H40 O9
• Calculated formula: C32 H40 O9
• SMILES: o1ccc(c1)[C@H]1OC(=O)C[C@H]2[C@]1(C)CC[C@@H]1[C@@]32O[C@H]3[C@H]2[C@]3(O)C[C@]([C@H]([C@]13C)CC(=O)OC)(C)[C@H]2OC(=O)/C(=C/C)C
• Title of publication: Chisomicines A-C, limonoids from Chisocheton ceramicus.
• Authors of publication: Najmuldeen, Ibrahim A.; Hadi, A Hamid A; Awang, Khalijah; Mohamad, Khalit; Ketuly, Kamal Aziz; Mukhtar, Mat Ropi; Chong, Soon-Lim; Chan, Gomathi; Nafiah, Mohd Azlan; Weng, Ng Seik; Shirota, Osamu; Hosoya, Takahiro; Nugroho, Alfarius E.; Morita, Hiroshi
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 1313 - 1317
• a: 12.491 ± 0.0002 Å
• b: 13.4647 ± 0.0002 Å
• c: 34.3327 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5774.33 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0573
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No