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Information card for entry 1559506
Preview
Coordinates | 1559506.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H35 O5.5 |
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Calculated formula | C26 H34 O5.5 |
SMILES | O1[C@H]([C@@]2([C@]3(CC[C@H](O)C(C)(C)[C@@H]3CC2)C)C)Cc2c1c1c(oc2=O)cc(OC)cc1C.O |
Title of publication | Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp. |
Authors of publication | Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 11 |
Pages of publication | 3471 - 3475 |
a | 6.784 ± 0.003 Å |
b | 23.336 ± 0.007 Å |
c | 29.173 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4618 ± 3 Å3 |
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 | 0.1765 |
Residual factor for significantly intense reflections | 0.0919 |
Weighted residual factors for significantly intense reflections | 0.2369 |
Weighted residual factors for all reflections included in the refinement | 0.3035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/1559506.html
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Users of the data should acknowledge the original authors of the
structural data.