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Information card for entry 2014835
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Coordinates | 2014835.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | (1RS,2RS,7RS,8RS)-8,9,11,12-Tetrachloro-N-ethyltricyclo[6.2.2.0^2,7^]dodeca- 9,11-diene-1,10-dicarboximide |
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Formula | C16 H15 Cl4 N O2 |
Calculated formula | C16 H15 Cl4 N O2 |
SMILES | Cl[C@]12[C@H]3[C@H]([C@]4(C(=C1Cl)C(=O)N(C4=O)CC)C(=C2Cl)Cl)CCCC3.Cl[C@@]12[C@@H]3[C@@H]([C@@]4(C(=C1Cl)C(=O)N(C4=O)CC)C(=C2Cl)Cl)CCCC3 |
Title of publication | The (1<i>RS</i>,2<i>RS</i>,7<i>RS</i>,8<i>RS</i>)- and (1<i>RS</i>,2<i>SR</i>,7<i>SR</i>,8<i>RS</i>)-diastereoisomers of 8,9,11,12-tetrachloro-<i>N</i>-ethyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide |
Authors of publication | Grimley, Fionuala M.; O'Donnell, Cormac; Pratt, Albert C.; Long, Conor; Howie, R. Alan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 6 |
Pages of publication | o369 - o372 |
a | 10.705 ± 0.017 Å |
b | 9.269 ± 0.012 Å |
c | 17.53 ± 0.03 Å |
α | 90° |
β | 97.83 ± 0.13° |
γ | 90° |
Cell volume | 1723 ± 5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1332 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1382 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2014835.html
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