Information card for entry 1542932

Structure parameters

• Chemical name: Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine
• Formula: C28 H43 N
• Calculated formula: C28 H43 N
• SMILES: N(c1ccc(cc1)C(C)(C)CC(C)(C)C)c1ccc(cc1)C(C)(CC(C)(C)C)C
• Title of publication: Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine
• Authors of publication: Wang, Limin; Wang, Shengpei; Liu, Shenggao
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160424
• a: 17.7676 ± 0.0016 Å
• b: 13.138 ± 0.0013 Å
• c: 11.4852 ± 0.0011 Å
• α: 90°
• β: 108.261 ± 0.002°
• γ: 90°
• Cell volume: 2546 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes