Information card for entry 4508680

Structure parameters

• Formula: C23 H17 F2 N O3
• Calculated formula: C23 H17 F2 N O3
• Title of publication: Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine
• Authors of publication: Chopra, Deepak; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1267
• a: 7.9036 ± 0.0013 Å
• b: 10.2216 ± 0.0017 Å
• c: 12.435 ± 0.002 Å
• α: 95.269 ± 0.003°
• β: 95.215 ± 0.003°
• γ: 96.239 ± 0.003°
• Cell volume: 989.2 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No