Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312782
Preview
Coordinates | 2312782.cif |
---|---|
Original IUCr paper | HTML |
Common name | <i>trans</i>-8-Methyl-<i>N</i>-vanillylnon-6-enamide |
---|---|
Chemical name | (6<i>E</i>)-<i>N</i>-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
Formula | C18 H27 N O3 |
Calculated formula | C18 H27 N O3 |
Title of publication | Single-crystal structure of the spicy capsaicin. |
Authors of publication | Lozinšek, Matic |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2025 |
Journal volume | 81 |
Journal issue | 4 |
a | 12.2165 ± 0.0003 Å |
b | 14.7791 ± 0.0004 Å |
c | 9.4719 ± 0.0002 Å |
α | 90° |
β | 94.035 ± 0.002° |
γ | 90° |
Cell volume | 1705.9 ± 0.07 Å3 |
Cell temperature | 100 ± 0.13 K |
Ambient diffraction temperature | 100 ± 0.13 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 | 0.0662 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
298344 (current) | 2025-03-08 | cif/ Adding structures of 2312782 via cif-deposit CGI script. |
2312782.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.