Information card for entry 4500071

Structure parameters

• Formula: C26 H24.667 N4 O0.333
• Calculated formula: C26 H24 N4 O0.333333
• SMILES: Nc1ccc(C(=C(c2ccc(N)cc2)c2ccc(N)cc2)c2ccc(N)cc2)cc1.O
• Title of publication: Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines
• Authors of publication: Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Pages of publication: 1451 - 1456
• a: 32.927 ± 0.0017 Å
• b: 9.33 ± 0.007 Å
• c: 21.448 ± 0.003 Å
• α: 90°
• β: 99.103 ± 0.012°
• γ: 90°
• Cell volume: 6506 ± 5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No