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Information card for entry 7202612
Preview
| Coordinates | 7202612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (R)-4-(2,3-dihydroxypropoxy) benzoic acid |
|---|---|
| Formula | C10 H12 O5 |
| Calculated formula | C10 H12 O5 |
| SMILES | O=C(O)c1ccc(OC[C@H](O)CO)cc1 |
| Title of publication | Diol-functionalised benzoates as novel linkers for the formation of coordination polymers |
| Authors of publication | Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 4 |
| Pages of publication | 282 |
| a | 7.7901 ± 0.0003 Å |
| b | 10.8098 ± 0.0004 Å |
| c | 23.0523 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1941.22 ± 0.13 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180357 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/26. |
7202612.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202612.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202612.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202612.cif |
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Users of the data should acknowledge the original authors of the
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