Information card for entry 8106170

Structure parameters

• Formula: C20 H25 N O2
• Calculated formula: C20 H25 N O2
• Title of publication: Crystal structure of methyl 4′-amino-3′,5′-diisopropyl-[1,1′-biphenyl]-4-carboxylate, C20H25NO2
• Authors of publication: Zhang, Mao-Yuan; Shi, Da-Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 421 - 422
• a: 16.873 ± 0.004 Å
• b: 6.2095 ± 0.0016 Å
• c: 16.992 ± 0.004 Å
• α: 90°
• β: 100.775 ± 0.004°
• γ: 90°
• Cell volume: 1748.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No