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Information card for entry 7228147
Preview
| Coordinates | 7228147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 F3 N5 O4 S |
|---|---|
| Calculated formula | C26 H24 F3 N5 O4 S |
| SMILES | S(=O)(=O)(Nc1nc(cc(n1)C)C)c1ccc(cc1)N.O=C(O)c1c(Nc2cccc(c2)C(F)(F)F)cccc1 |
| Title of publication | Structural landscape of multicomponent solids based on sulfa drugs |
| Authors of publication | Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 15.889 ± 0.002 Å |
| b | 14.854 ± 0.002 Å |
| c | 22.217 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5243.5 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1031 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.197 |
| Weighted residual factors for all reflections included in the refinement | 0.2242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195861 (current) | 2017-04-29 | cif/ Adding structures of 7228147, 7228148, 7228149, 7228150, 7228151, 7228152, 7228153, 7228154 via cif-deposit CGI script. |
7228147.cif |
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Users of the data should acknowledge the original authors of the
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