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Information card for entry 2008152
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| Coordinates | 2008152.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid |
|---|---|
| Formula | C18 H18 O4 |
| Calculated formula | C18 H18 O4 |
| SMILES | Cc1cc(C)c(c(c1)C(=O)O)c1c(C)cc(cc1C(=O)O)C |
| Title of publication | Hydrogen bonding in 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid |
| Authors of publication | Dobson, Allison J.; Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 203 - 206 |
| a | 13.658 ± 0.001 Å |
| b | 11.388 ± 0.001 Å |
| c | 22.178 ± 0.002 Å |
| α | 90° |
| β | 106.951 ± 0.008° |
| γ | 90° |
| Cell volume | 3299.6 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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