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Information card for entry 7224235
Preview
| Coordinates | 7224235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 221 GASM Act solvate |
|---|---|
| Formula | C12.5 H14 N O7.5 |
| Calculated formula | C12.5 H14 N O7.5 |
| SMILES | c1(cc(c(c(c1)O)O)O)C(=O)O.C1(=O)CCC(=O)N1.CC(=O)C |
| Title of publication | A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals |
| Authors of publication | Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 18 |
| Pages of publication | 3191 |
| a | 8.2761 ± 0.0004 Å |
| b | 11.6893 ± 0.0006 Å |
| c | 14.7645 ± 0.0007 Å |
| α | 108.269 ± 0.004° |
| β | 97.664 ± 0.004° |
| γ | 101.744 ± 0.004° |
| Cell volume | 1297.75 ± 0.12 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182636 (current) | 2016-05-06 | cif/ Updating files of 7224231, 7224232, 7224233, 7224234, 7224235, 7224236, 7224237 Original log message: Adding full bibliography for 7224231--7224237.cif. |
7224235.cif |
| 182221 | 2016-04-20 | cif/7 Fixing Z values and formulae |
7224235.cif |
| 176394 | 2016-02-12 | cif/ Adding structures of 7224231, 7224232, 7224233, 7224234, 7224235, 7224236, 7224237 via cif-deposit CGI script. |
7224235.cif |
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Users of the data should acknowledge the original authors of the
structural data.