Information card for entry 8107267

Structure parameters

• Formula: C26 H34 N2
• Calculated formula: C26 H34 N2
• Title of publication: Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2
• Authors of publication: Liu, Yingfan; Zhao, Zhiqiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 971 - 974
• a: 14.8062 ± 0.0002 Å
• b: 15.8918 ± 0.0002 Å
• c: 20.0121 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4708.79 ± 0.11 ų
• Cell temperature: 296.2 ± 0.5 K
• Ambient diffraction temperature: 296.2 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No