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Information card for entry 2237792
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| Coordinates | 2237792.cif |
|---|---|
| Structure factors | 2237792.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,2-Dibromo-10,10-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane |
|---|---|
| Formula | C17 H24 Br2 Cl2 |
| Calculated formula | C17 H24 Br2 Cl2 |
| SMILES | CC1(C)CCC[C@@]2([C@]3([C@@H]1[C@@H]1C([C@]1(C)CC3)(Cl)Cl)C2(Br)Br)C |
| Title of publication | (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,2-Dibromo-10,10-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane |
| Authors of publication | Ourhriss, Najia; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o724 |
| a | 9.0112 ± 0.0006 Å |
| b | 11.6772 ± 0.0008 Å |
| c | 9.0849 ± 0.0006 Å |
| α | 90° |
| β | 108.045 ± 0.005° |
| γ | 90° |
| Cell volume | 908.94 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/77. |
2237792.cif 2237792.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237792.cif 2237792.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237792.cif 2237792.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237792.cif 2237792.hkl |
| 86456 | 2013-07-11 | cif/ Adding structures of 2237792 via cif-deposit CGI script. |
2237792.cif |
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Users of the data should acknowledge the original authors of the
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