Information card for entry 8105302

Structure parameters

• Formula: C19 H22 N2
• Calculated formula: C19 H22 N2
• SMILES: C(#N)c1ccc(cc1)c1cc(c(c(c1)C(C)C)N)C(C)C
• Title of publication: Crystal structure of 4′-amino-3′,5′-diisopropyl-(1,1′-biphenyl)-4-carbonitrile, C19H22N2
• Authors of publication: Mo, Shuang-Ming; Shi, Da-Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 837 - 839
• a: 8.133 ± 0.0005 Å
• b: 9.3474 ± 0.0005 Å
• c: 12.152 ± 0.0008 Å
• α: 87.278 ± 0.005°
• β: 71.092 ± 0.006°
• γ: 66.19 ± 0.006°
• Cell volume: 795.88 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No