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Information card for entry 1553323
Preview
Coordinates | 1553323.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H24 O3 |
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Calculated formula | C16 H24 O3 |
SMILES | OCCc1c(c2C(OC)C(Cc2c(O)c1C)(C)C)C |
Title of publication | Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A. |
Authors of publication | Xie, Shuangshuang; Wu, Ye; Qiao, Yuben; Guo, Yi; Wang, Jianping; Hu, Zhengxi; Zhang, Qing; Li, Xiaonian; Huang, Jinfeng; Zhou, Qun; Luo, Zengwei; Liu, Junjun; Zhu, Hucheng; Xue, Yongbo; Zhang, Yonghui |
Journal of publication | Journal of natural products |
Year of publication | 2018 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 1311 - 1320 |
a | 8.7757 ± 0.0012 Å |
b | 9.156 ± 0.0012 Å |
c | 9.8895 ± 0.0013 Å |
α | 73.107 ± 0.004° |
β | 85.312 ± 0.006° |
γ | 82.044 ± 0.005° |
Cell volume | 752.29 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1933 |
Residual factor for significantly intense reflections | 0.1889 |
Weighted residual factors for significantly intense reflections | 0.4334 |
Weighted residual factors for all reflections included in the refinement | 0.4464 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.079 |
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/1553323.html
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Users of the data should acknowledge the original authors of the
structural data.