Information card for entry 2205104

Structure parameters

• Chemical name: (Z)-2,3-Bis(2-phenylindozin-3-yl)-2-butenedinitrile
• Formula: C32 H20 N4
• Calculated formula: C32 H20 N4
• SMILES: n12ccccc1cc(c2C(=C(c1n2ccccc2cc1c1ccccc1)/C#N)/C#N)c1ccccc1
• Title of publication: (<i>Z</i>)-2,3-Bis(2-phenylindolizin-3-yl)-2-butenedinitrile
• Authors of publication: Liu, Wei-Wei; Li, Yi-Zhi; Sun, Run-Kun; Hu, Hong-Wen; Wu, Qiang-Jin; Huang, Zi-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o445 - o447
• a: 11.663 ± 0.002 Å
• b: 11.695 ± 0.002 Å
• c: 18.348 ± 0.004 Å
• α: 90°
• β: 105.38 ± 0.03°
• γ: 90°
• Cell volume: 2413 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes