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Information card for entry 1540689
Preview
Coordinates | 1540689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 O6 |
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Calculated formula | C24 H32 O6 |
SMILES | O1[C@@]2([C@@H](C[C@@]34OC(=O)C[C@]4(OC(=O)C=C13)C)C[C@H](O)C(=CCC(C=CC2)(C)C)C)C |
Title of publication | Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. |
Authors of publication | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng |
Journal of publication | Journal of natural products |
Year of publication | 2015 |
Journal volume | 78 |
Journal issue | 12 |
Pages of publication | 3058 - 3066 |
a | 6.30022 ± 0.0001 Å |
b | 15.0054 ± 0.0002 Å |
c | 23.3482 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2207.28 ± 0.09 Å3 |
Cell temperature | 100.1 K |
Ambient diffraction temperature | 100.1 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 | 0.0417 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.5418 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/1540689.html
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