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Information card for entry 7210454
Preview
| Coordinates | 7210454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 O2 |
|---|---|
| Calculated formula | C7 H6 O2 |
| SMILES | OC(=O)c1ccccc1 |
| Title of publication | Modeling the morphology of benzoic acid crystals grown from aqueous solution |
| Authors of publication | Schmidt, Christiane; Yürüdü, Caner; Wachsmuth, Anika; Ulrich, Joachim |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 1159 - 1169 |
| a | 5.5 Å |
| b | 5.128 Å |
| c | 21.95 Å |
| α | 90° |
| β | 97.37° |
| γ | 90° |
| Cell volume | 613.963 Å3 |
| 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 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180435 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/04. |
7210454.cif |
| 88408 | 2013-09-12 | cif/ Adding structures of 7210454 via cif-deposit CGI script. |
7210454.cif |
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Users of the data should acknowledge the original authors of the
structural data.