Information card for entry 7231794

Structure parameters

• Formula: C23 H28 N4 O3
• Calculated formula: C23 H28 N4 O3
• 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: 13.215 ± 0.005 Å
• b: 10.327 ± 0.005 Å
• c: 16.162 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.56 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2201.4 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No