Information card for entry 8107279

Structure parameters

• Formula: C39 H27 N7 O2
• Calculated formula: C39 H27 N7 O2
• SMILES: O=C(Nc1c(/N=C/c2cccc3cccnc23)cccc1)c1nc(ccc1)C(=O)Nc1ccccc1/N=C/c1cccc2cccnc12
• Title of publication: Crystal structure of N 2,N 6-bis(2-(((E)-quinolin-8-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C39H27N7O2
• Authors of publication: Zhao, Wen-Ze
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1013 - 1015
• a: 12.3871 ± 0.0018 Å
• b: 19.114 ± 0.003 Å
• c: 13.243 ± 0.0016 Å
• α: 90°
• β: 103.236 ± 0.004°
• γ: 90°
• Cell volume: 3052.2 ± 0.8 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.081
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No