Information card for entry 7244165

Structure parameters

• Formula: C26 H22 N2 O
• Calculated formula: C26 H22 N2 O
• SMILES: O=C(C(c1ccc(N)cc1)(c1ccc(N)cc1)c1ccccc1)c1ccccc1
• 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: 10.1318 ± 0.0005 Å
• b: 10.1318 ± 0.0005 Å
• c: 39.042 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4007.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No