Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229303
Preview
| Coordinates | 7229303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis-4-methoxy triphenylamine-dicyanophenyl |
|---|---|
| Formula | C54 H50 N4 O4 S2 |
| Calculated formula | C54 H50 N4 O4 S2 |
| Title of publication | Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing |
| Authors of publication | Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 6.967 ± 0.0014 Å |
| b | 10.922 ± 0.002 Å |
| c | 15.965 ± 0.003 Å |
| α | 89.68 ± 0.03° |
| β | 87.94 ± 0.03° |
| γ | 78.03 ± 0.03° |
| Cell volume | 1187.6 ± 0.4 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1209 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.854 |
| Diffraction radiation wavelength | 0.61 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201871 (current) | 2017-10-10 | cif/ Adding structures of 7229303, 7229304 via cif-deposit CGI script. |
7229303.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.