Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228224
Preview
| Coordinates | 7228224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H37 N O3 |
|---|---|
| Calculated formula | C26 H37 N O3 |
| Title of publication | The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction |
| Authors of publication | Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 24.3213 ± 0.0008 Å |
| b | 6.2222 ± 0.0003 Å |
| c | 16.8774 ± 0.0008 Å |
| α | 90° |
| β | 93.894 ± 0.004° |
| γ | 90° |
| Cell volume | 2548.19 ± 0.19 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 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 | 0.1106 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196549 (current) | 2017-05-06 | cif/ Adding structures of 7228224, 7228225, 7228226, 7228227, 7228228 via cif-deposit CGI script. |
7228224.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.