Information card for entry 1565089

Structure parameters

• Formula: C26 H24 Br2 N2 O6
• Calculated formula: C26 H24 Br2 N2 O6.064
• Title of publication: Novel isoindigo compound with aggregation-induced emission: Br-Br bonding joint restriction of intramolecular motion and cell imaging properties.
• Authors of publication: Zhang, Zhenyu; Sun, Yu; Zhao, Xu; Jin, Nanxi; Xi, Gaolei; Zhang, Xuedong; Cao, Jingjin; Wu, Jia; Fan, Xia; Qin, Wenping
• Journal of publication: Soft matter
• Year of publication: 2021
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 9866 - 9870
• a: 6.1484 ± 0.0003 Å
• b: 10.5215 ± 0.0007 Å
• c: 11.0081 ± 0.0009 Å
• α: 67.308 ± 0.007°
• β: 75.384 ± 0.006°
• γ: 85.216 ± 0.005°
• Cell volume: 635.66 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No