Information card for entry 4035702

Structure parameters

• Formula: C31 H26 N4 O7
• Calculated formula: C31 H26 N4 O7
• SMILES: c1(ccc(C(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)N(c4ccc(C(=O)OC)cc4)C)cc3)cc2)C)cc1)N(=O)=O
• 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: 9.4411 ± 0.0005 Å
• b: 13.9132 ± 0.0007 Å
• c: 20.7293 ± 0.001 Å
• α: 95.928 ± 0.003°
• β: 97.099 ± 0.003°
• γ: 93.724 ± 0.003°
• Cell volume: 2679.2 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No