Information card for entry 7237793

Structure parameters

• Formula: C46 H28 F10 O8
• Calculated formula: C46 H28 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: 5.1931 ± 0.0013 Å
• b: 13.104 ± 0.003 Å
• c: 28.245 ± 0.007 Å
• α: 90°
• β: 93.665 ± 0.005°
• γ: 90°
• Cell volume: 1918.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No