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Information card for entry 2107441
Preview
| Coordinates | 2107441.cif |
|---|---|
| Structure factors | 2107441.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H46 F2 N6 O13 |
|---|---|
| Calculated formula | C38 H46 F2 N6 O13 |
| Title of publication | Salt screening and characterization of ciprofloxacin |
| Authors of publication | Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 20 - 28 |
| a | 9.922 ± 0.004 Å |
| b | 30.199 ± 0.009 Å |
| c | 13.528 ± 0.008 Å |
| α | 90° |
| β | 109.717 ± 0.013° |
| γ | 90° |
| Cell volume | 3816 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0819 |
| Weighted residual factors for significantly intense reflections | 0.2234 |
| Weighted residual factors for all reflections included in the refinement | 0.249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2107441.cif 2107441.hkl |
| 181885 | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/74. |
2107441.cif 2107441.hkl |
| 176608 | 2016-02-17 | cif/ Updating files of 2107440, 2107441, 2107442, 2107443 Original log message: Adding full bibliography for 2107440--2107443.cif. |
2107441.cif 2107441.hkl |
| 176557 | 2016-02-17 | cif/ Updating files of 2107440, 2107441, 2107442, 2107443 Original log message: Adding full bibliography for 2107440--2107443.cif. |
2107441.cif 2107441.hkl |
| 174994 | 2016-01-25 | cif/ hkl/ Adding structures of 2107440, 2107441, 2107442, 2107443 via cif-deposit CGI script. |
2107441.cif 2107441.hkl |
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Users of the data should acknowledge the original authors of the
structural data.