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Information card for entry 2239506
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| Coordinates | 2239506.cif |
|---|---|
| Structure factors | 2239506.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid |
|---|---|
| Formula | C16 H14 O6 |
| Calculated formula | C16 H14 O6 |
| Title of publication | 4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid |
| Authors of publication | Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o615 |
| a | 13.138 ± 0.002 Å |
| b | 15.615 ± 0.003 Å |
| c | 6.7726 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1389.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1308 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239506.cif 2239506.hkl |
| 181314 | 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 2/23/95. |
2239506.cif 2239506.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. |
2239506.cif 2239506.hkl |
| 112423 | 2014-05-01 | cif/ hkl/ Adding structures of 2239506 via cif-deposit CGI script. |
2239506.cif 2239506.hkl |
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Users of the data should acknowledge the original authors of the
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