Information card for entry 4036506

Structure parameters

• Chemical name: N,N'-([1,1'-biphenyl]-2,2'-diyl)-bis(N-methylacetamide)
• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: c1(c(cccc1)N(C(=O)C)C)c1c(cccc1)N(C(=O)C)C
• Title of publication: Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.
• Authors of publication: Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 1
• Pages of publication: 89 - 99
• a: 6.7926 ± 0.0005 Å
• b: 14.0221 ± 0.0009 Å
• c: 16.7829 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1598.51 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No