Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572125
Preview
| Coordinates | 1572125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 F3 N O2 |
|---|---|
| Calculated formula | C15 H12 F3 N O2 |
| Title of publication | Preparation of intrinsically fragile bent crystals. |
| Authors of publication | Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 31 |
| Pages of publication | 12258 - 12263 |
| a | 4.9586 ± 0.0002 Å |
| b | 11.2709 ± 0.0004 Å |
| c | 24.119 ± 0.0008 Å |
| α | 90° |
| β | 95.674 ± 0.003° |
| γ | 90° |
| Cell volume | 1341.36 ± 0.08 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 294486 (current) | 2024-09-06 | cif/ Updating files of 1572123, 1572124, 1572125 Original log message: Adding full bibliography for 1572123--1572125.cif. |
1572125.cif |
| 293371 | 2024-07-12 | cif/ Adding structures of 1572123, 1572124, 1572125 via cif-deposit CGI script. |
1572125.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.