Information card for entry 1518453

Structure parameters

• Formula: C32 H31 F3 N4 O6
• Calculated formula: C32 H31 F3 N4 O6
• SMILES: O(c1c[n+]2c(CCCC2c2ncc(OC)c3c2[nH]c2ccccc32)c2[nH]c3c(OC)cccc3c12)C.FC(F)(F)C(=O)[O-].OC
• Title of publication: (±)-Quassidines I and J, Two Pairs of Cytotoxic Bis-β-carboline Alkaloid Enantiomers from Picrasma quassioides.
• Authors of publication: Jiao, Wei-Hua; Chen, Guo-Dong; Gao, Hao; Li, Jing; Gu, Bin-Bin; Xu, Ting-Ting; Yu, Hao-Bing; Shi, Guo-Hua; Yang, Fan; Yao, Xin-Sheng; Lin, Hou-Wen
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 1
• Pages of publication: 125 - 130
• a: 28.1062 ± 0.0003 Å
• b: 28.1062 ± 0.0003 Å
• c: 14.709 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11619.5 ± 0.2 ų
• Cell temperature: 140.15 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No