Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107490
Preview
| Coordinates | 8107490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N5 |
|---|---|
| Calculated formula | C17 H17 N5 |
| Title of publication | Crystal structure of 2-amino-3-[2-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-ethylideneamino]-but-2-enedinitrile, C17H17N5 |
| Authors of publication | Lian, Ze-Yi; Wu, Wei-Na |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 545 - 546 |
| a | 9.4347 ± 0.0009 Å |
| b | 15.6392 ± 0.0015 Å |
| c | 11.0939 ± 0.0011 Å |
| α | 90° |
| β | 100.215 ± 0.002° |
| γ | 90° |
| Cell volume | 1611 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0532 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285977 (current) | 2023-09-04 | cif/ Adding structures of 8107490 via cif-deposit CGI script. |
8107490.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.