Information card for entry 7233214

Structure parameters

• Chemical name: N-(4-(3,5-dimethylpyrazol-4-yl)phenyl)benzamide_methanol_solvate
• Formula: C19 H21 N3 O2
• Calculated formula: C19 H20 N3 O2
• Title of publication: Self-assembly of 4-aryl-1H-pyrazoles as a novel platform for luminescent supramolecular columnar liquid crystals
• Authors of publication: Sandra Moyano; Joaquin Barbera; Beatriz E. Diosdado; Jose Luis Serrano; Anabel Elduque; Raquel Gimenez
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 3119 - 3128
• a: 9.7487 ± 0.0011 Å
• b: 13.1235 ± 0.0018 Å
• c: 15.369 ± 0.002 Å
• α: 107.494 ± 0.013°
• β: 98.048 ± 0.011°
• γ: 110.541 ± 0.012°
• Cell volume: 1688.5 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No