Information card for entry 1552116

Structure parameters

• Formula: C44 H38 N4 O8
• Calculated formula: C44 H38 N4 O8
• SMILES: C(=O)(NCC(=O)O)OCC1c2c(cccc2)c2c1cccc2.c1(ccncc1)c1ccncc1.C(=O)(NCC(=O)O)OCC1c2ccccc2c2c1cccc2
• Title of publication: Hydrogen bonded co-assembly of aromatic amino acids and bipyridines that serves as a sacrificial template in superstructure formation.
• Authors of publication: Wang, Zhuoer; Cheng, Qiuhong; Xing, Pengyao; Cao, Zhaozhen; Hao, Aiyou
• Journal of publication: Soft matter
• Year of publication: 2019
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 6596 - 6603
• a: 46.5364 ± 0.0017 Å
• b: 4.8799 ± 0.0002 Å
• c: 16.5283 ± 0.0006 Å
• α: 90°
• β: 100.576 ± 0.004°
• γ: 90°
• Cell volume: 3689.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0892
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No