Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1570544
Preview
| Coordinates | 1570544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | methyl 2-((diphenylmethylene)amino)-3-(1-methylcyclohexyl)-2-(p-tolyl)propanoate |
|---|---|
| Formula | C31 H35 N O2 |
| Calculated formula | C31 H35 N O2 |
| Title of publication | Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids. |
| Authors of publication | Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1068 - 1076 |
| a | 9.6712 ± 0.0002 Å |
| b | 10.1319 ± 0.0002 Å |
| c | 25.4616 ± 0.0004 Å |
| α | 90° |
| β | 96.565 ± 0.002° |
| γ | 90° |
| Cell volume | 2478.56 ± 0.08 Å3 |
| Cell temperature | 123.15 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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 |
|---|---|---|---|
| 289427 (current) | 2024-02-04 | cif/ Updating files of 1570544, 1570545, 1570546 Original log message: Adding full bibliography for 1570544--1570546.cif. |
1570544.cif |
| 288274 | 2023-12-13 | cif/ Adding structures of 1570544, 1570545, 1570546 via cif-deposit CGI script. |
1570544.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.