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Information card for entry 4518171
Preview
| Coordinates | 4518171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | mequitazine-fumarate_anhydrate_formII_powder |
|---|---|
| Formula | C24 H26 N2 O4 S |
| Calculated formula | C24 H26 N2 O4 S |
| Title of publication | New Salt and Cocrystal of Mequitazine: Impact of Coformer Flexibility and Hydrogen Bond Donors on Polymorphism |
| Authors of publication | Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2020 |
| a | 8.146 ± 0.0004 Å |
| b | 9.3045 ± 0.0006 Å |
| c | 16.1985 ± 0.0012 Å |
| α | 80.954 ± 0.002° |
| β | 77.629 ± 0.003° |
| γ | 64.4671 ± 0.0019° |
| Cell volume | 1079.19 ± 0.12 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 1.1949 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258559 (current) | 2020-10-23 | cif/ Adding structures of 4518171 via cif-deposit CGI script. |
4518171.cif |
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Users of the data should acknowledge the original authors of the
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