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Information card for entry 7251171
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| Coordinates | 7251171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ofloxacin |
|---|---|
| Formula | C18 H20 F N3 O4 |
| Calculated formula | C18 H20 F N3 O4 |
| Title of publication | Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin |
| Authors of publication | Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 47 |
| Pages of publication | 7662 - 7676 |
| a | 30.251 ± 0.01 Å |
| b | 6.8318 ± 0.0008 Å |
| c | 16.845 ± 0.002 Å |
| α | 90° |
| β | 105.15 ± 0.02° |
| γ | 90° |
| Cell volume | 3360.3 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Cell measurement pressure | 0 kPa |
| Number of distinct elements | 5 |
| 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 | 0.1127 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 304095 (current) | 2025-12-07 | cif/ Updating files of 7251165, 7251166, 7251167, 7251168, 7251169, 7251170, 7251171, 7251172, 7251173, 7251174, 7251175, 7251176, 7251177, 7251178, 7251179, 7251180, 7251181, 7251182, 7251183, 7251184, 7251185, 7251186, 7251187 Original log message: Adding full bibliography for 7251165--7251187.cif. |
7251171.cif |
| 303112 | 2025-10-31 | cif/ Adding structures of 7251165, 7251166, 7251167, 7251168, 7251169, 7251170, 7251171, 7251172, 7251173, 7251174, 7251175, 7251176, 7251177, 7251178, 7251179, 7251180, 7251181, 7251182, 7251183, 7251184, 7251185, 7251186, 7251187 via cif-deposit CGI script. |
7251171.cif |
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Users of the data should acknowledge the original authors of the
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