Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107615
Preview
| Coordinates | 8107615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 N6 |
|---|---|
| Calculated formula | C26 H36 N6 |
| Title of publication | Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6 |
| Authors of publication | Fujisawa, Kiyoshi; Ageishi, Keigo; Tiekink, Edward R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 973 - 976 |
| a | 5.7137 ± 0.0002 Å |
| b | 10.4374 ± 0.0003 Å |
| c | 11.1141 ± 0.0003 Å |
| α | 104.98 ± 0.003° |
| β | 94.279 ± 0.003° |
| γ | 93.876 ± 0.003° |
| Cell volume | 635.89 ± 0.04 Å3 |
| Cell temperature | 178 ± 2 K |
| Ambient diffraction temperature | 178 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286918 (current) | 2023-10-12 | cif/ Adding structures of 8107615 via cif-deposit CGI script. |
8107615.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.