Information card for entry 7251129

Structure parameters

• Chemical name: (2Z,2'Z)-3,3'-(anthracene-9,10-diylbis(4,1-phenylene))bis(2-(4-(octyloxy)phenyl)acrylonitrile)
• Formula: C60 H60 N2 O2
• Calculated formula: C60 H60 N2 O2
• Title of publication: Photophysical Divergence Driven by π-Spacer Variations in Anthracene-Cyanostilbene Architecture
• Authors of publication: Femina, C.; Yamamoto, Norifumi; Ramya, N. K.; Sajith, Pookkottu K.; Thomas, Reji
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 6.388 ± 0.002 Å
• b: 7.282 ± 0.002 Å
• c: 26.451 ± 0.009 Å
• α: 91.253 ± 0.008°
• β: 95.768 ± 0.008°
• γ: 96.982 ± 0.008°
• Cell volume: 1214.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No