Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7222130
Preview
| Coordinates | 7222130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 N O2 |
|---|---|
| Calculated formula | C17 H11 N O2 |
| SMILES | O=C1c2ccccc2C2=Nc3cc(ccc3OC2=C1)C |
| Title of publication | Targeting chemorefractory COLO205 (BRAF V600E) cell lines using substituted benzo[a]phenoxazines† |
| Authors of publication | Pal, Sanjima; Konkimalla, V. Badireenath; Kathwate, Laxmi; Rao, Soniya S.; Gejji, Shridhar P.; Puranik, Vedavati; Weyhermueller, Thomas; Salunke-Gawali, Sunita |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 13.288 ± 0.002 Å |
| b | 4.6447 ± 0.0006 Å |
| c | 19.479 ± 0.003 Å |
| α | 90° |
| β | 101.696 ± 0.002° |
| γ | 90° |
| Cell volume | 1177.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0514 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 156318 (current) | 2015-09-15 | cif/ Adding structures of 7222130, 7222131 via cif-deposit CGI script. |
7222130.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.