Information card for entry 4501276

Structure parameters

• Formula: C29 H28 N4 O5
• Calculated formula: C29 H28 N4 O5
• SMILES: C(=O)(N(c1ccc(cc1)C(=O)O)CC)N(c1ccc(cc1)C(=O)O)CC.n1ccc(cc1)c1ccncc1
• Title of publication: U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels
• Authors of publication: Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5387
• a: 11.842 ± 0.003 Å
• b: 16.252 ± 0.003 Å
• c: 14.325 ± 0.004 Å
• α: 90°
• β: 109.151 ± 0.002°
• γ: 90°
• Cell volume: 2604.4 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No