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Information card for entry 7230808
Preview
| Coordinates | 7230808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | succinic acid |
|---|---|
| Chemical name | 1,4-Butanedioic acid |
| Formula | C4 H6 O4 |
| Calculated formula | C4 H6 O4 |
| Title of publication | Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction |
| Authors of publication | Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 28 |
| Pages of publication | 3971 |
| a | 5.7015 ± 0.0005 Å |
| b | 8.4154 ± 0.0008 Å |
| c | 10.3538 ± 0.0008 Å |
| α | 90° |
| β | 90.374 ± 0.003° |
| γ | 90° |
| Cell volume | 496.77 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228880 (current) | 2019-11-17 | cif/ Updating files of 7230808, 7230809 Original log message: Adding full bibliography for 7230808--7230809.cif. |
7230808.cif |
| 208039 | 2018-05-30 | cif/ Adding structures of 7230808, 7230809 via cif-deposit CGI script. |
7230808.cif |
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Users of the data should acknowledge the original authors of the
structural data.