Information card for entry 4508564

Structure parameters

• Formula: C13 H10 F6 N2
• Calculated formula: C13 H10 F6 N2
• Title of publication: Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue
• Authors of publication: Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4705
• a: 11.56 ± 0.003 Å
• b: 7.4129 ± 0.0017 Å
• c: 15.161 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1299.2 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No