Information card for entry 1554669

Structure parameters

• Formula: C48 H30 F6 N4 O2
• Calculated formula: C48 H30 F6 N4 O2
• SMILES: c1cc(c2ccc(cc2)C(F)(F)F)cc2cc(c3c(c4c(c(cc5c4ccc(c5)c4ccc(cc4)C(F)(F)F)C=C(C#N)C#N)OCCCCCCO3)c12)C=C(C#N)C#N
• Title of publication: Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives
• Authors of publication: Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 1613
• a: 18.4373 ± 0.0019 Å
• b: 25.7446 ± 0.0019 Å
• c: 11.6266 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5518.7 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No