Information card for entry 2200908

Structure parameters

• Formula: C30 H26 N4
• Calculated formula: C30 H26 N4
• SMILES: c1ccc(cc1)Nc1ccc(cc1)Nc1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1
• Title of publication: A phenyl-end-capped tetramer of aniline
• Authors of publication: Evain, Michel; Quillard, Sophie; Corraze, Benoit; Wang, Wei; MacDiarmid, Alan G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o343 - o344
• a: 5.7328 ± 0.0001 Å
• b: 8.8866 ± 0.0002 Å
• c: 22.6889 ± 0.0006 Å
• α: 82.7481 ± 0.0008°
• β: 84.5281 ± 0.0008°
• γ: 88.4739 ± 0.0011°
• Cell volume: 1141.29 ± 0.04 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0809
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No