Information card for entry 4518390

Structure parameters

• Chemical name: N2,N2-dimethyl-N4-(3-(2-(pentafluorophenyl)vinyl)phenyl) -N6-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate
• Formula: C29 H31 F5 N6 O2 S2
• Calculated formula: C29 H31 F5 N6 O2 S2
• Title of publication: Glass versus Crystal: A Balancing Act between Competing Intermolecular Interactions
• Authors of publication: Laventure, Audrey; Maris, Thierry; Pellerin, Christian; Lebel, Olivier
• Journal of publication: Crystal Growth and Design
• Year of publication: 2017
• Journal volume: 17
• Pages of publication: 2365 - 2373
• a: 7.9866 ± 0.0003 Å
• b: 11.0761 ± 0.0004 Å
• c: 17.215 ± 0.0006 Å
• α: 90.6702 ± 0.0017°
• β: 99.6908 ± 0.0017°
• γ: 99.059 ± 0.0017°
• Cell volume: 1481.25 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No