Information card for entry 7123059

Structure parameters

• Formula: C45.5 H41 N O4
• 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: 10.277 ± 0.002 Å
• b: 10.359 ± 0.002 Å
• c: 16.047 ± 0.003 Å
• α: 96.13 ± 0.03°
• β: 93.45 ± 0.03°
• γ: 94.2 ± 0.03°
• Cell volume: 1690 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No