Information card for entry 7232617

Structure parameters

• Chemical name: (Z)-3-(4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl)-2-phenylacrylonitrile
• Formula: C30 H25 N3 O2
• Calculated formula: C30 H25 N3 O2
• Title of publication: Solvatochromism and pH effect on the emission of a triphenylimidazole-phenylacrylonitrile derivative: experimental and DFT studies
• Authors of publication: Anandhan, Karnambaram; Cerón, Margarita; Perumal, Venkatesan; Ceballos, Paulina; Gordillo-Guerra, Paola; Pérez-Gutiérrez, Enrique; Castillo, Armando E.; Thamotharan, Subbiah; Percino, M. Judith
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 12085
• a: 19.3734 ± 0.0009 Å
• b: 7.6646 ± 0.0004 Å
• c: 16.9594 ± 0.0006 Å
• α: 90°
• β: 110.353 ± 0.004°
• γ: 90°
• Cell volume: 2361.07 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No