Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228105
Preview
| Coordinates | 7228105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H32 N2 O3 |
|---|---|
| Calculated formula | C26 H32 N2 O3 |
| Title of publication | Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions |
| Authors of publication | Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 35 |
| Pages of publication | 21906 |
| a | 9.1007 ± 0.0011 Å |
| b | 9.4113 ± 0.0011 Å |
| c | 15.088 ± 0.0018 Å |
| α | 97.591 ± 0.003° |
| β | 90.128 ± 0.003° |
| γ | 116.126 ± 0.002° |
| Cell volume | 1147.4 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.144 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1538 |
| Weighted residual factors for all reflections included in the refinement | 0.1845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228105.cif |
| 195652 | 2017-04-21 | cif/ Adding structures of 7228100, 7228101, 7228102, 7228103, 7228104, 7228105, 7228106, 7228107, 7228108 via cif-deposit CGI script. |
7228105.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.