Information card for entry 7062542

Structure parameters

• Chemical name: (2Z,2'Z)-3,3'-(anthracene-9,10-diylbis(4,1-phenylene))bis(2-(4-(hexyloxy)phenyl)acrylonitrile)
• Formula: C56 H52 N2 O2
• Calculated formula: C56 H52 N2 O2
• Title of publication: Anthracene-incorporated cyanostilbene based donor–acceptor systems: intramolecular charge transfer and aggregation induced emission
• Authors of publication: Femina, Cherumannil; Shanthil, M.; Sajith, Pookkottu K.; Thomas, Reji
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 13810 - 13819
• a: 6.3607 ± 0.0003 Å
• b: 7.3751 ± 0.0003 Å
• c: 24.3886 ± 0.0013 Å
• α: 83.237 ± 0.002°
• β: 89.608 ± 0.002°
• γ: 82.976 ± 0.002°
• Cell volume: 1127.57 ± 0.09 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: 0.069
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No