Information card for entry 4029754

Structure parameters

• Formula: C30 H26 N4
• Calculated formula: C30 H26 N4
• SMILES: n1(cnc(c1c1ccccc1)c1ccccc1)C(=N\c1ccc(cc1)C)/Nc1ccc(cc1)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: 11.938 ± 0.0002 Å
• b: 16.4303 ± 0.0003 Å
• c: 25.0589 ± 0.0005 Å
• α: 90°
• β: 95.0346 ± 0.0007°
• γ: 90°
• Cell volume: 4896.21 ± 0.16 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No