Information card for entry 7101861

Structure parameters

• Formula: C16 H14 N4
• Calculated formula: C16 H14 N4
• SMILES: N(=C\c1[nH]ccc1)/c1ccc(/N=C/c2[nH]ccc2)cc1
• 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: 10.894 ± 0.002 Å
• b: 9.1577 ± 0.0018 Å
• c: 14.177 ± 0.003 Å
• α: 90°
• β: 90.888 ± 0.003°
• γ: 90°
• Cell volume: 1414.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1153
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No