Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2311737
Preview
Coordinates | 2311737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H10 F6 N2 |
---|---|
Calculated formula | C15 H10 F6 N2 |
Title of publication | Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. |
Authors of publication | Dey, Dhananjay; Chopra, Deepak |
Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | Pt 5 |
Pages of publication | 781 - 793 |
a | 11.2082 ± 0.0004 Å |
b | 16.2891 ± 0.0005 Å |
c | 15.2689 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2787.67 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0672 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1212 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
246096 (current) | 2019-12-26 | cif/ Adding structures of 2311731, 2311732, 2311733, 2311734, 2311735, 2311736, 2311737 via cif-deposit CGI script. |
2311737.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.