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Information card for entry 2238256
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| Coordinates | 2238256.cif |
|---|---|
| Structure factors | 2238256.hkl |
| Original IUCr paper | HTML |
| Common name | 1,6-Dibromo-2-naphthol |
|---|---|
| Chemical name | 1,6-Dibromonaphthalen-2-ol methanol monosolvate |
| Formula | C11 H10 Br2 O2 |
| Calculated formula | C11 H10 Br2 O2 |
| SMILES | Brc1ccc2c(c1)ccc(c2Br)O.OC |
| Title of publication | 1,6-Dibromonaphthalen-2-ol methanol monosolvate |
| Authors of publication | Sanders, Marisa B.; Furkan, Tania; Leonard, Emily; Chan, Benny C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1149 |
| a | 3.9971 ± 0.0004 Å |
| b | 12.4705 ± 0.0012 Å |
| c | 22.462 ± 0.002 Å |
| α | 90° |
| β | 92.442 ± 0.001° |
| γ | 90° |
| Cell volume | 1118.62 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238256.cif 2238256.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2238256.cif 2238256.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. |
2238256.cif 2238256.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238256.cif 2238256.hkl |
| 87517 | 2013-08-27 | cif/ Adding structures of 2238256 via cif-deposit CGI script. |
2238256.cif |
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