Information card for entry 7237795

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: 13.7988 ± 0.0016 Å
• b: 15.4277 ± 0.0018 Å
• c: 19.196 ± 0.002 Å
• α: 97.224 ± 0.003°
• β: 97.656 ± 0.002°
• γ: 101.419 ± 0.002°
• Cell volume: 3920.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No