Information card for entry 7244166

Structure parameters

• Formula: C26 H22 N2
• Calculated formula: C26 H22 N2
• SMILES: Nc1ccc(C(=C(c2ccc(N)cc2)\c2ccccc2)/c2ccccc2)cc1
• Title of publication: Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.
• Authors of publication: Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 1960 - 1964
• a: 9.1427 ± 0.0009 Å
• b: 10.2655 ± 0.001 Å
• c: 11.2401 ± 0.0011 Å
• α: 76.016 ± 0.008°
• β: 84.388 ± 0.008°
• γ: 76.867 ± 0.009°
• Cell volume: 995.87 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1747
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No