Information card for entry 4035703

Structure parameters

• Common name: 1b
• Formula: C35 H34 N4 O7
• Calculated formula: C33.476 H30.444 N4 O7
• SMILES: C(CC)N(C(=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(CCC)c1ccc(cc1)C(=O)OC
• Title of publication: Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.
• Authors of publication: Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14338 - 14349
• a: 19.0264 ± 0.0006 Å
• b: 10.9646 ± 0.0004 Å
• c: 15.906 ± 0.0004 Å
• α: 90°
• β: 101.399 ± 0.002°
• γ: 90°
• Cell volume: 3252.81 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No