Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107333
Preview
| Coordinates | 8107333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H31 Br N4 O3 |
|---|---|
| Calculated formula | C33 H31 Br N4 O3 |
| Title of publication | The crystal structure of (E)-2-((5-bromo-2-hydroxybenzylidene)amino)-3′,6′-bis(ethylamino)-2′, 7′-dimethylspiro[isoindoline-1,9′-xanthen]-3-one, C33H31BrN4O3 |
| Authors of publication | Xiao, Zhenxiu; Wu, Li; Su, Yizi; Jiang, Wujiu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1197 - 1199 |
| a | 9.3451 ± 0.0007 Å |
| b | 17.3057 ± 0.0013 Å |
| c | 18.4402 ± 0.0013 Å |
| α | 90° |
| β | 98.447 ± 0.001° |
| γ | 90° |
| Cell volume | 2949.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284428 (current) | 2023-06-09 | cif/ Adding structures of 8107333 via cif-deposit CGI script. |
8107333.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.