Information card for entry 7237829

Structure parameters

• Chemical name: TPEIC
• Formula: C39 H24 N2 O
• Calculated formula: C39 H24 N2 O
• Title of publication: Donor‒acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites
• Authors of publication: Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 8888
• a: 5.87 ± 0.02 Å
• b: 10.236 ± 0.018 Å
• c: 25.27 ± 0.05 Å
• α: 84.03 ± 0.09°
• β: 89.02 ± 0.15°
• γ: 73.63 ± 0.17°
• Cell volume: 1449 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3205
• Residual factor for significantly intense reflections: 0.3111
• Weighted residual factors for significantly intense reflections: 0.6596
• Weighted residual factors for all reflections included in the refinement: 0.6943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No