Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242218
Preview
| Coordinates | 2242218.cif |
|---|---|
| Structure factors | 2242218.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-Ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde |
|---|---|
| Formula | C29 H24 N2 O S |
| Calculated formula | C29 H24 N2 O S |
| SMILES | S1c2c(N(c3ccc(c4cc5c6c(n(c5cc4)CC)cccc6)cc13)CC)ccc(c2)C=O |
| Title of publication | Crystal structure of 10-ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde |
| Authors of publication | Mahalakshmi, Vairavan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Bargavi, Srinivasan; Lakshmi, Srinivasakannan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 5 |
| Pages of publication | 726 - 728 |
| a | 9.4677 ± 0.0006 Å |
| b | 25.7169 ± 0.0013 Å |
| c | 9.5704 ± 0.0005 Å |
| α | 90° |
| β | 103.681 ± 0.002° |
| γ | 90° |
| Cell volume | 2264.1 ± 0.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199183 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242218 via cif-deposit CGI script. |
2242218.cif 2242218.hkl |
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.