Information card for entry 4029799

Structure parameters

• Formula: C22 H26 N4
• Calculated formula: C22 H26 N4
• SMILES: n1(cnc(c1c1ccccc1)c1ccccc1)C(=N\C(C)C)/NC(C)C
• Title of publication: Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.
• Authors of publication: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2008
• Journal volume: 4
• Pages of publication: 23
• a: 10.7318 ± 0.0002 Å
• b: 11.9553 ± 0.0002 Å
• c: 17.3861 ± 0.0003 Å
• α: 106.348 ± 0.0007°
• β: 91.1499 ± 0.0007°
• γ: 111.053 ± 0.0007°
• Cell volume: 1979.23 ± 0.06 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No