Information card for entry 4508394

Structure parameters

• Common name: Xaliproden
• Formula: C23 H23 Cl F3 N
• Calculated formula: C24 Cl F3 N
• Title of publication: Polymorphism in Xaliproden (SR57746A): An X-ray Diffraction, Calorimetric, and Solid-State NMR Investigation
• Authors of publication: Chandrappa, Ravi Kumar; Ochsenbein, Philippe; Martineau, Charlotte; Bonin, Michel; Althoff, Gerhard; Engelke, Frank; Malandrini, Harold; Castro, Bertrand; El Hajji, Mohamed; Taulelle, Francis
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4678
• a: 18.4293 Å
• b: 7.9248 Å
• c: 14.6842 Å
• α: 90°
• β: 103.281°
• γ: 90°
• Cell volume: 2087.25 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.0845
• Goodness-of-fit parameter for all reflections: 3.7
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.79975 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No