Information card for entry 7237796

Structure parameters

• Formula: C48 H32 F10 O4
• Calculated formula: C48 H32 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: 22.23 ± 0.03 Å
• b: 7.883 ± 0.009 Å
• c: 23.37 ± 0.03 Å
• α: 90°
• β: 94.09 ± 0.05°
• γ: 90°
• Cell volume: 4085 ± 9 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: 0.0395
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No