Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7207552
Preview
| Coordinates | 7207552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2(Phenazine)(4-Aminobenzoic acid) |
|---|---|
| Chemical name | Phenazine 4-Aminobenzoic acid (2/1) |
| Formula | C31 H23 N5 O2 |
| Calculated formula | C31 H23 N5 O2 |
| SMILES | c1(C(=O)O)ccc(N)cc1.c1cccc2nc3ccccc3nc12.c1cccc2nc3ccccc3nc12 |
| 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 | 15.557 ± 0.002 Å |
| b | 17.056 ± 0.003 Å |
| c | 19.782 ± 0.003 Å |
| α | 80.658 ± 0.005° |
| β | 78.559 ± 0.007° |
| γ | 77.168 ± 0.006° |
| Cell volume | 4977.6 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.2304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180406 (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 7/20/75. |
7207552.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207552.cif |
| 52034 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207551, 7207552, 7207553, 7207554 via cif-deposit CGI script. |
7207552.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.