Information card for entry 7231795

Structure parameters

• Formula: C50 H56 N10 S4 Zn
• Calculated formula: C50 H56 N10 S4 Zn
• Title of publication: Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence
• Authors of publication: Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 94
• a: 20.941 ± 0.005 Å
• b: 11.461 ± 0.005 Å
• c: 22.337 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.49 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5113 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No