Information card for entry 4500070

Structure parameters

• Formula: C26.5 H25.5 N4.5 O1.5
• Calculated formula: C26.5 H25.5 N4.5 O1.5
• SMILES: C12(c3cc(ccc3c3ccc(cc13)N)N)c1cc(ccc1c1ccc(cc21)N)N.CN(C)C=O.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: 10.6545 ± 0.0019 Å
• b: 14.404 ± 0.003 Å
• c: 29.086 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4463.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No