Information card for entry 7235012

Structure parameters

• Formula: C57 H42 Cl2 N2 O
• Calculated formula: C57 H42 Cl2 N2 O
• Title of publication: Aromatic azaheterocycle-cored luminogens with tunable physical properties via nitrogen atoms for sensing strong acids
• Authors of publication: Ruizhi Tang; Xinyang Wang; Wanzheng Zhang; Xiaodong Zhuang; Shuai Bi; Wenbei Zhang; Fan Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 7640 - 7648
• a: 45.0139 ± 0.0016 Å
• b: 5.615 ± 0.0002 Å
• c: 19.2525 ± 0.0007 Å
• α: 90°
• β: 112.628 ± 0.002°
• γ: 90°
• Cell volume: 4491.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2904
• Weighted residual factors for all reflections included in the refinement: 0.3189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No