Information card for entry 7237794

Structure parameters

• Formula: C44 H22 Cl6 F10 O8
• Calculated formula: C44 H22 Cl6 F10 O8
• Title of publication: Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control
• Authors of publication: Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 27
• Pages of publication: 8316
• a: 14.591 ± 0.0006 Å
• b: 5.8584 ± 0.0002 Å
• c: 26.0228 ± 0.0011 Å
• α: 90°
• β: 101.623 ± 0.001°
• γ: 90°
• Cell volume: 2178.81 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No