Information card for entry 7123058

Structure parameters

• Formula: C41 H31 N O3
• Calculated formula: C41 H31 N O3
• Title of publication: Organic Polymorphs with Fluorescence Switching: Direct Evidences for Mechanical and Thermal Modulation of Excited State Transitions
• Authors of publication: Jiang, Shan; Wang, Jiayu; Qi, Qingkai; Qian, Jingyu; Xu, Bin; Li, Fangfei; Zhou, Qiang; Tian, Wenjing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.057 ± 0.002 Å
• b: 19.813 ± 0.004 Å
• c: 11.851 ± 0.002 Å
• α: 90°
• β: 112.567 ± 0.003°
• γ: 90°
• Cell volume: 3047.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1711
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No