Information card for entry 7237705

Structure parameters

• Formula: C40 H34 Cl2 N2 O2
• Calculated formula: C40 H34 Cl2 N2 O2
• Title of publication: Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs
• Authors of publication: Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 3263
• a: 4.9686 ± 0.0002 Å
• b: 8.1389 ± 0.0004 Å
• c: 20.8828 ± 0.001 Å
• α: 94.934 ± 0.002°
• β: 91.571 ± 0.002°
• γ: 98.421 ± 0.002°
• Cell volume: 831.59 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No