Information card for entry 7105248

Structure parameters

• Formula: C21 H26 N4 O5
• Calculated formula: C21 H26 N4 O5
• SMILES: CC(=O)Nc1cc(ccc1)C(=O)N(CC(=O)Nc1cc(ccc1)C(=O)N(C)C)C.O
• Title of publication: A hydrogen bonding motif for forming extended assemblies.
• Authors of publication: Zhang, Jiahui; Wu, Xiangxiang; Yamato, Kazuhiro; Liu, Futao; Su, Tianyi; Zheng, Chong; He, Lan; Gong, Bing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1062 - 1064
• a: 13.7983 ± 0.0003 Å
• b: 7.5207 ± 0.0002 Å
• c: 21.252 ± 0.0005 Å
• α: 90°
• β: 102.834 ± 0.002°
• γ: 90°
• Cell volume: 2150.29 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.078
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No