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Information card for entry 1552603
Preview
Coordinates | 1552603.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H17 Cl O6 |
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Calculated formula | C16 H17 Cl O6 |
SMILES | Cl[C@@H]1C=C[C@H](OC(=O)C)[C@@H](O)[C@]1(O)COC(=O)c1ccccc1 |
Title of publication | Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis. |
Authors of publication | Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee |
Journal of publication | Journal of natural products |
Year of publication | 2019 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 101 - 110 |
a | 13.508 ± 0.0005 Å |
b | 5.3369 ± 0.0002 Å |
c | 22.2879 ± 0.0009 Å |
α | 90° |
β | 95.528 ± 0.004° |
γ | 90° |
Cell volume | 1599.28 ± 0.11 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.0573 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for all reflections | 0.1611 |
Weighted residual factors for significantly intense reflections | 0.1586 |
Weighted residual factors for all reflections included in the refinement | 0.1611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0049 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1552603.html
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Users of the data should acknowledge the original authors of the
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