Information card for entry 1554664

Structure parameters

• Formula: C29 H14 N4 O2
• Calculated formula: C29 H14 N4 O2
• SMILES: N#CC(=Cc1c2c(c3c(c1)cccc3)c1c(OCO2)c(cc2c1cccc2)C=C(C#N)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: 5.0052 ± 0.0002 Å
• b: 15.6076 ± 0.0004 Å
• c: 14.6006 ± 0.0004 Å
• α: 90°
• β: 91.275 ± 0.003°
• γ: 90°
• Cell volume: 1140.3 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No