Information card for entry 8107615

Structure parameters

• Formula: C26 H36 N6
• Calculated formula: C26 H36 N6
• Title of publication: Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6
• Authors of publication: Fujisawa, Kiyoshi; Ageishi, Keigo; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 973 - 976
• a: 5.7137 ± 0.0002 Å
• b: 10.4374 ± 0.0003 Å
• c: 11.1141 ± 0.0003 Å
• α: 104.98 ± 0.003°
• β: 94.279 ± 0.003°
• γ: 93.876 ± 0.003°
• Cell volume: 635.89 ± 0.04 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No