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Information card for entry 2240562
Preview
Coordinates | 2240562.cif |
---|---|
Structure factors | 2240562.hkl |
Original IUCr paper | HTML |
Chemical name | (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-10-Bromomethyl-2,2-dichloro-9,10-epoxy-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodecane |
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Formula | C16 H23 Br Cl2 O |
Calculated formula | C16 H23 Br Cl2 O |
SMILES | [C@H]12[C@H]3[C@](CC[C@@]41C([C@@]4(CCCC2(C)C)C)(Cl)Cl)(CBr)O3 |
Title of publication | Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-10-bromomethyl-2,2-dichloro-9,10-epoxy-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodecane |
Authors of publication | Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 5 |
Pages of publication | o284 - o285 |
a | 8.8748 ± 0.0005 Å |
b | 11.2102 ± 0.0006 Å |
c | 16.8597 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1677.34 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0374 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.0877 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2240562.html
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Users of the data should acknowledge the original authors of the
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