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Information card for entry 1519344
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| Coordinates | 1519344.cif |
|---|
| Formula | C29 H27 O8 |
|---|---|
| Calculated formula | C29 H27 O8 |
| Title of publication | Tetramethyl biphenyl-3,5,3',5'-tetracarboxylate benzene solvate |
| Authors of publication | Warriner, C. N.; Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2001 |
| Pages of publication | 132 |
| a | 37.557 ± 0.007 Å |
| b | 7.0816 ± 0.0014 Å |
| c | 22.498 ± 0.004 Å |
| α | 90° |
| β | 124.86 ± 0.03° |
| γ | 90° |
| Cell volume | 4910 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519344.cif |
| 135695 | 2015-05-07 | cif/ Adding structures of 1519344 via cif-deposit CGI script. |
1519344.cif |
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Users of the data should acknowledge the original authors of the
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