Information card for entry 4500069

Structure parameters

• Formula: C29 H32 N4 O4
• Calculated formula: C29 H32 N4 O4
• SMILES: C(COc1ccc(cc1)N)(COc1ccc(cc1)N)(COc1ccc(cc1)N)COc1ccc(cc1)N
• 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: 12.7089 ± 0.0001 Å
• b: 12.7089 ± 0.0001 Å
• c: 8.2149 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1326.84 ± 0.02 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No