Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234401
Preview
| Coordinates | 7234401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-(4-(diphenylamino)-2-methoxybenzylidene)malononitrile |
|---|---|
| Formula | C23 H17 N3 O |
| Calculated formula | C23 H17 N3 O |
| SMILES | O(c1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N)C |
| Title of publication | Reversible fluorescence switching and topochemical conversion in an organic AEE material: polymorphism, defection and nanofabrication mediated fluorescence tuning |
| Authors of publication | P. S. Hariharan; Dohyun Moon; Savarimuthu Philip Anthony |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 8381 - 8388 |
| a | 16.858 ± 0.003 Å |
| b | 12.594 ± 0.003 Å |
| c | 17.493 ± 0.004 Å |
| α | 90° |
| β | 98.44 ± 0.03° |
| γ | 90° |
| Cell volume | 3673.7 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.60999 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234401.cif |
| 219118 | 2019-10-07 | cif/ Adding structures of 7234400, 7234401 via cif-deposit CGI script. |
7234401.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.