Information card for entry 2300263

Structure parameters

• Chemical name: 1-cyclopropyl-6-fiuoro-4-oxo-7-(1-piperazinyl)- 1,4-dihydroquinoline-3-carboxylic acid) 1.4hydrate hydrochloride
• Formula: C17 H21.8 Cl F N3 O4.4
• Calculated formula: C17 H21.8 Cl F N3 O4.4
• Title of publication: Towards extracting the charge density from normal-resolution data
• Authors of publication: Dittrich, B.; Hübschle, C. B.; Holstein, J. J.; Fabbiani, F. P. A.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 1110 - 1121
• a: 12.872 ± 0.001 Å
• b: 19.576 ± 0.001 Å
• c: 6.948 ± 0.001 Å
• α: 90 ± 0°
• β: 90.55 ± 0.05°
• γ: 90 ± 0°
• Cell volume: 1750.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 2.7692
• Diffraction radiation wavelength: 0.766 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No