Information card for entry 8107253

Structure parameters

• Formula: C41 H29 N5 O2
• Calculated formula: C41 H29 N5 O2
• Title of publication: Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2
• Authors of publication: Zhao, Wen-Ze
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 923 - 925
• a: 12.4919 ± 0.001 Å
• b: 19.401 ± 0.0015 Å
• c: 13.2741 ± 0.0011 Å
• α: 90°
• β: 103.319 ± 0.002°
• γ: 90°
• Cell volume: 3130.5 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.02 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: 0.1056
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No