Information card for entry 7058011

Structure parameters

• Formula: C72 H54 N8 O2
• Calculated formula: C72 H54 N8 O2
• Title of publication: Imidazole-containing cyanostilbene-based molecules with aggregation-induced emission characteristics: photophysical and electroluminescent properties
• Authors of publication: Dong, Yujie; Qian, Jingyu; Liu, Yang; Zhu, Nianyong; Xu, Bin; Ho, Cheuk-Lam; Tian, Wenjing; Wong, Wai-Yeung
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1844
• a: 10.123 ± 0.002 Å
• b: 11.857 ± 0.002 Å
• c: 12.208 ± 0.002 Å
• α: 107.99 ± 0.02°
• β: 99.32 ± 0.02°
• γ: 97.49 ± 0.02°
• Cell volume: 1349.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No