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Information card for entry 1518453
Preview
Coordinates | 1518453.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H31 F3 N4 O6 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1518453.html
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Users of the data should acknowledge the original authors of the
structural data.