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Information card for entry 7207554
Preview
| Coordinates | 7207554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2(Diphenylcyclopropenone)(Succinic Acid) |
|---|---|
| Chemical name | Diphenylcyclopropenone Succinic acid (2/1) |
| Formula | C17 H13 O3 |
| Calculated formula | C17 H13 O3 |
| Title of publication | Screening for cocrystals of succinic acid and 4-aminobenzoic acid |
| Authors of publication | Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 2454 |
| a | 14.654 ± 0.004 Å |
| b | 5.554 ± 0.0014 Å |
| c | 16.288 ± 0.004 Å |
| α | 90° |
| β | 90.471 ± 0.004° |
| γ | 90° |
| Cell volume | 1325.6 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1261 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207554.cif |
| 180406 | 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 7/20/75. |
7207554.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207554.cif |
| 52034 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207551, 7207552, 7207553, 7207554 via cif-deposit CGI script. |
7207554.cif |
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Users of the data should acknowledge the original authors of the
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