Information card for entry 1515166

Structure parameters

• Formula: C46 H36 N10 O9
• Calculated formula: C46 H36 N10 O9.149
• SMILES: COC(=O)c1cn(Cc2ccccc2)cc(c1=O)NC(=O)c1cccc(n1)NC(=O)c1cccc(n1)NC(=O)c1cccc(n1)NC(=O)c1cccc(n1)NC(=O)OCc1ccccc1.O
• Title of publication: Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities
• Authors of publication: Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 2042
• a: 10.611 ± 0.001 Å
• b: 12.959 ± 0.0012 Å
• c: 16.4525 ± 0.0016 Å
• α: 73.499 ± 0.002°
• β: 77.989 ± 0.003°
• γ: 72.668 ± 0.003°
• Cell volume: 2051.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0764
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No