Information card for entry 1503706

Structure parameters

• Formula: C27.667 H35.667 N O10.667
• Calculated formula: C27.65 H29 N O10.65
• SMILES: O1c2c(C(=O)C=C1C)c(O)cc(O)c2[C@@H]1[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)CN(CC1)C.CO.CO
• Title of publication: Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum.
• Authors of publication: Ismail, Intan Safinar; Nagakura, Yuta; Hirasawa, Yusuke; Hosoya, Takahiro; Lazim, Mohd Izwan Mohd; Lajis, Nordin Hj; Shiro, Motoo; Morita, Hiroshi
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1879 - 1883
• a: 19.2969 ± 0.0004 Å
• b: 19.2969 ± 0.0004 Å
• c: 19.1134 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6163.7 ± 0.3 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No