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Information card for entry 7241531
Preview
| Coordinates | 7241531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Nicorandil-Fumaric acid salt |
|---|---|
| Formula | C12 H13 N3 O8 |
| Calculated formula | C12 H13 N3 O8 |
| SMILES | O(N(=O)=O)CCNC(=O)c1c[nH+]ccc1.O=C(O)/C=C/C(=O)[O-] |
| Title of publication | Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation |
| Authors of publication | Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 227 - 237 |
| a | 29.813 ± 0.006 Å |
| b | 4.787 ± 0.002 Å |
| c | 9.861 ± 0.002 Å |
| α | 90 ± 0.03° |
| β | 90 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 1407.3 ± 0.7 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261590 (current) | 2021-02-05 | cif/ Updating files of 7241531, 7241532 Original log message: Adding full bibliography for 7241531--7241532.cif. |
7241531.cif |
| 259307 | 2020-11-29 | cif/ Adding structures of 7241531, 7241532 via cif-deposit CGI script. |
7241531.cif |
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Users of the data should acknowledge the original authors of the
structural data.