Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7060813
Preview
Coordinates | 7060813.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | DC-004 |
---|---|
Formula | C6 H6 Br N O |
Calculated formula | C6 H6 Br N O |
Title of publication | Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E |
Authors of publication | Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 13302 - 13316 |
a | 11.2353 ± 0.0007 Å |
b | 7.3127 ± 0.0005 Å |
c | 15.8256 ± 0.001 Å |
α | 90° |
β | 90.408 ± 0.002° |
γ | 90° |
Cell volume | 1300.2 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0323 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060813.html
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.