Information card for entry 8102062

Structure parameters

• Chemical name: bis(lomefloxacin) 1,4-benzenedicarboxylate dihydrate
• Formula: C42 H48 F4 N6 O12
• Calculated formula: C42 H48 F4 N6 O12
• Title of publication: Crystal structure of bis(lomefloxacin) 1,4-benzenedicarboxylate dihydrate, (C~17~H~19~F~2~N~3~O~3~)~2~[C~8~H~6~O~4~] · 2H~2~O
• Authors of publication: Zhou, T.; Zhao, L.; Guo, J.-X.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 495 - 496
• a: 9.5342 ± 0.0019 Å
• b: 11.315 ± 0.002 Å
• c: 11.327 ± 0.002 Å
• α: 97.89 ± 0.03°
• β: 113.34 ± 0.03°
• γ: 104.05 ± 0.03°
• Cell volume: 1050.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1062
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No