Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7221902
Preview
| Coordinates | 7221902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H42 N6 O3 |
|---|---|
| Calculated formula | C48 H42 N6 O3 |
| Title of publication | Steric group enforced aromatic cyclic trimer conformer in tripodal molecules |
| Authors of publication | Shankar, Deval sathiyashivan; Shankar, Bhaskaran; Rajakannu, Palanisamy; Vishnoi, Pratap; Masram, Dhanraj T.; Malaichamy, Sathiyendiran |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 11.134 ± 0.003 Å |
| b | 14.065 ± 0.003 Å |
| c | 16.033 ± 0.003 Å |
| α | 65.252 ± 0.013° |
| β | 69.867 ± 0.014° |
| γ | 79.935 ± 0.017° |
| Cell volume | 2139.5 ± 0.9 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 | 0.089 |
| Residual factor for significantly intense reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.2045 |
| Weighted residual factors for all reflections included in the refinement | 0.2137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71075 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. |
7221902.cif |
| 153719 | 2015-08-27 | cif/ Adding structures of 7221900, 7221901, 7221902 via cif-deposit CGI script. |
7221902.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.