Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2107440
Preview
| Coordinates | 2107440.cif |
|---|---|
| Structure factors | 2107440.hkl |
| Original IUCr paper | HTML |
| Formula | C21 H24 F N3 O8 |
|---|---|
| Calculated formula | C21 H24 F N3 O8 |
| SMILES | c1c(c(=O)c2cc(c(cc2n1C1CC1)N1CC[NH2+]CC1)F)C(=O)O.C(=O)(/C=C/C(=O)O)[O-].O |
| 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 | 9.579 ± 0.003 Å |
| b | 9.806 ± 0.002 Å |
| c | 11.612 ± 0.004 Å |
| α | 78.66 ± 0.02° |
| β | 89.44 ± 0.03° |
| γ | 78.85 ± 0.04° |
| Cell volume | 1048.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181885 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/74. |
2107440.cif 2107440.hkl |
| 176608 | 2016-02-17 | cif/ Updating files of 2107440, 2107441, 2107442, 2107443 Original log message: Adding full bibliography for 2107440--2107443.cif. |
2107440.cif 2107440.hkl |
| 176557 | 2016-02-17 | cif/ Updating files of 2107440, 2107441, 2107442, 2107443 Original log message: Adding full bibliography for 2107440--2107443.cif. |
2107440.cif 2107440.hkl |
| 174994 | 2016-01-25 | cif/ hkl/ Adding structures of 2107440, 2107441, 2107442, 2107443 via cif-deposit CGI script. |
2107440.cif 2107440.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.