Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246332
Preview
| Coordinates | 7246332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Arbutin NMP solvent compound;solvate S5 |
|---|---|
| Chemical name | Arbutin NMP solvate |
| Formula | C29 H41 N O15 |
| Calculated formula | C29 H41 N O15 |
| Title of publication | Mechanistic study of the formation of arbutin polymorphs and solvates |
| Authors of publication | Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 14 |
| Pages of publication | 2075 - 2084 |
| a | 6.3606 ± 0.0003 Å |
| b | 20.5593 ± 0.0009 Å |
| c | 23.4018 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3060.2 ± 0.2 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0991 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283210 (current) | 2023-05-05 | cif/ Updating files of 7246329, 7246330, 7246331, 7246332 Original log message: Adding full bibliography for 7246329--7246332.cif. |
7246332.cif |
| 281119 | 2023-02-24 | cif/ Adding structures of 7246329, 7246330, 7246331, 7246332 via cif-deposit CGI script. |
7246332.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.