Information card for entry 1553691

Structure parameters

• Chemical name: ZZ-HPB-CN
• Formula: C48 H30 N4
• Calculated formula: C48 H30 N4
• Title of publication: Light/temperature-enhanced emission characteristics of malononitrile-containing hexaphenyl-1,3-butadiene derivatives: the hotter, the brighter
• Authors of publication: Zhang, Yahui; Kong, Lingwei; Mao, Huiling; Pan, Xiaoling; Shi, Jianbing; Tong, Bin; Dong, Yuping
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 12
• Pages of publication: 2569
• a: 14.768 ± 0.016 Å
• b: 15.377 ± 0.017 Å
• c: 16.689 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3790 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No