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Information card for entry 1555173
Preview
Coordinates | 1555173.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 O5 |
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Calculated formula | C24 H32 O5 |
SMILES | O(CC1=C[C@]2(O)[C@@]3(O[C@@H]3C1=O)CC1=C(CC[C@H]3C(C)(C)CCC[C@]13C)C2)C(=O)C |
Title of publication | Expanstines A‒D: four unusual isoprenoid epoxycyclohexenones generated by Penicillium expansum YJ-15 fermentation and photopromotion |
Authors of publication | Wang, Jia-Peng; Shu, Yan; Liu, Shi-Xi; Hu, Jun-Tao; Sun, Cheng-Tong; Zhou, Hao; Gan, Dong; Cai, Xue-Yun; Pu, Wei; Cai, Le; Ding, Zhong-Tao |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 23 |
Pages of publication | 3839 |
a | 25.9119 ± 0.0007 Å |
b | 7.4654 ± 0.0002 Å |
c | 11.5725 ± 0.0003 Å |
α | 90° |
β | 107.999 ± 0.001° |
γ | 90° |
Cell volume | 2129.06 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1389 |
Weighted residual factors for all reflections included in the refinement | 0.1396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555173.html
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