Information card for entry 7251130

Structure parameters

• Chemical name: (2Z,2'Z)-3,3'-(anthracene-9,10-diyl)bis(2-(4-(octyloxy)phenyl)acrylonitrile)
• Formula: C48 H52 N2 O2
• Calculated formula: C48 H52 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: 6.1036 ± 0.0003 Å
• b: 8.6157 ± 0.0005 Å
• c: 18.5115 ± 0.001 Å
• α: 80.96 ± 0.002°
• β: 81.39 ± 0.002°
• γ: 85.005 ± 0.002°
• Cell volume: 948.52 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No