Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102844
Preview
Coordinates | 8102844.cif |
---|
Chemical name | 2,2'-dinitro-2,2'-[(1,4-butylene)dioxybis(nitrilomethylidyne)]dibenzene |
---|---|
Formula | C18 H18 N4 O6 |
Calculated formula | C18 H18 N4 O6 |
Title of publication | Crystal structure of 2,2'-dinitro-2,2'-[(1,4-butylene)dioxybis(nitrilomethylidyne)]dibenzene, C18H18N4O6 |
Authors of publication | Lan-Qin Chai; Yu-Li Zhang; Xiao-Qin Ding |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2010 |
Journal volume | 225 |
Journal issue | 4 |
Pages of publication | 685 |
a | 4.668 ± 0.004 Å |
b | 15.112 ± 0.013 Å |
c | 12.756 ± 0.011 Å |
α | 90° |
β | 95.459 ± 0.01° |
γ | 90° |
Cell volume | 895.8 ± 1.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0464 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
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/8102844.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.