Information card for entry 7061105

Structure parameters

• Chemical name: (2Z,2'Z)-2,2'-(1,4-phenylene)bis(3-(4-(octyloxy)phenyl)acrylonitrile)
• Formula: C40 H48 N2 O2
• Calculated formula: C40 H48 N2 O2
• Title of publication: Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching
• Authors of publication: Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 1339 - 1346
• a: 36.4315 ± 0.0017 Å
• b: 7.1569 ± 0.0003 Å
• c: 6.7041 ± 0.0003 Å
• α: 90°
• β: 92.239 ± 0.002°
• γ: 90°
• Cell volume: 1746.67 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No