Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7224576
Preview
| Coordinates | 7224576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | dipropylammonium D-(+)-10-camphorsulfonate |
|---|---|
| Formula | C16 H31 N O4 S |
| Calculated formula | C16 H31 N O4 S |
| Title of publication | Reversible phase transition triggered by order–disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate |
| Authors of publication | Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 16 |
| Pages of publication | 2852 |
| a | 9.3694 ± 0.0003 Å |
| b | 7.3823 ± 0.0002 Å |
| c | 13.8573 ± 0.0004 Å |
| α | 90° |
| β | 105.537 ± 0.003° |
| γ | 90° |
| Cell volume | 923.45 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224576.cif |
| 182655 | 2016-05-06 | cif/ Updating files of 7224575, 7224576 Original log message: Adding full bibliography for 7224575--7224576.cif. |
7224576.cif |
| 178134 | 2016-03-11 | cif/ Adding structures of 7224575, 7224576 via cif-deposit CGI script. |
7224576.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.