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Information card for entry 7229649
Preview
| Coordinates | 7229649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Adipic acid |
|---|---|
| Formula | C6 H10 O4 |
| Calculated formula | C6 H10 O4 |
| SMILES | C(CCC(=O)O)CC(=O)O |
| Title of publication | An organoferroelasticity driven by molecular conformational change. |
| Authors of publication | Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 7 |
| Pages of publication | 4631 - 4635 |
| a | 7.3693 ± 0.0014 Å |
| b | 5.1566 ± 0.001 Å |
| c | 10.1453 ± 0.0016 Å |
| α | 90° |
| β | 112.354 ± 0.011° |
| γ | 90° |
| Cell volume | 356.56 ± 0.12 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230934 (current) | 2019-11-17 | cif/ Updating files of 7229648, 7229649 Original log message: Adding full bibliography for 7229648--7229649.cif. |
7229649.cif |
| 203967 | 2017-12-05 | cif/ Adding structures of 7229648, 7229649 via cif-deposit CGI script. |
7229649.cif |
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