Information card for entry 7101862

Structure parameters

• Formula: C16 H14 N4
• Calculated formula: C16 H14 N4
• SMILES: N(=C\c1[nH]ccc1)/c1cc(/N=C/c2[nH]ccc2)ccc1
• Title of publication: Distinct nanostructures from isomeric molecules of bis(iminopyrrole) benzenes: effects of molecular structures on nanostructural morphologies.
• Authors of publication: Wang, Yaobing; Fu, Hongbing; Peng, Aidong; Zhao, Yongsheng; Ma, Jinshi; Ma, Ying; Yao, Jiannian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1623 - 1625
• a: 10.2048 ± 0.001 Å
• b: 15.5662 ± 0.0015 Å
• c: 17.4159 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No