Information card for entry 1546785

Structure parameters

• Formula: C32.3 H45.6 I2 N4 O2.5 S2.2
• Calculated formula: C32.3 H33 I2 N4 O2.5 S2.2
• Title of publication: Red-emissive antibody-AIEgen conjugate for turn-on and wash-free imaging of specific cancer cell
• Authors of publication: Shi, Xiujuan; Yu, Chris Y. Y.; Su, Huifang; Kwok, Ryan T. K.; Jiang, Meijuan; He, Zikai; Lam, Jacky Wing Yip; Tang, Ben Zhong
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 12.8533 ± 0.0003 Å
• b: 14.3215 ± 0.0004 Å
• c: 20.7096 ± 0.0008 Å
• α: 86.942 ± 0.003°
• β: 76.463 ± 0.003°
• γ: 83.026 ± 0.002°
• Cell volume: 3677.6 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No