Information card for entry 2009016

Structure parameters

• Formula: C14 H10 F3 N O2
• Calculated formula: C14 H10 F3 N O2
• SMILES: N(=C/c1ccccc1O)\c1ccc(OC(F)(F)F)cc1
• Title of publication: Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives
• Authors of publication: Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1707 - 1710
• a: 5.647 ± 0.001 Å
• b: 7.977 ± 0.002 Å
• c: 29.197 ± 0.004 Å
• α: 90°
• β: 90.63 ± 0.02°
• γ: 90°
• Cell volume: 1315.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1241
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No