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Information card for entry 7224575
Preview
| Coordinates | 7224575.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 |
| SMILES | S(=O)(=O)([O-])C[C@]12CC[C@H](CC1=O)C2(C)C.[NH2+](CCC)CCC |
| 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 | 13.7632 ± 0.0003 Å |
| b | 7.3472 ± 0.0002 Å |
| c | 18.3748 ± 0.0004 Å |
| α | 90° |
| β | 107.385 ± 0.002° |
| γ | 90° |
| Cell volume | 1773.2 ± 0.08 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7224575.cif |
| 182655 | 2016-05-06 | cif/ Updating files of 7224575, 7224576 Original log message: Adding full bibliography for 7224575--7224576.cif. |
7224575.cif |
| 178134 | 2016-03-11 | cif/ Adding structures of 7224575, 7224576 via cif-deposit CGI script. |
7224575.cif |
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Users of the data should acknowledge the original authors of the
structural data.