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Information card for entry 2021297
Preview
| Coordinates | 2021297.cif |
|---|---|
| Structure factors | 2021297.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[3-(3-methylbenzenesulfonamido)propyl]piperidin-1-ium chloride |
|---|---|
| Formula | C22 H27 Cl F N3 O3 S |
| Calculated formula | C22 H27 Cl F N3 O3 S |
| Title of publication | Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study |
| Authors of publication | Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| a | 21.1233 ± 0.0004 Å |
| b | 6.4503 ± 0.0002 Å |
| c | 33.9243 ± 0.0009 Å |
| α | 90° |
| β | 95.453 ± 0.002° |
| γ | 90° |
| Cell volume | 4601.3 ± 0.2 Å3 |
| Cell temperature | 116 ± 2 K |
| Ambient diffraction temperature | 116 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211621 (current) | 2018-10-25 | cif/ hkl/ Adding structures of 2021297, 2021298, 2021299, 2021300 via cif-deposit CGI script. |
2021297.cif 2021297.hkl |
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Users of the data should acknowledge the original authors of the
structural data.