Information card for entry 4003598

Structure parameters

• Formula: C40 H22 F8 O6
• Calculated formula: C40 H22 F8 O6
• Title of publication: Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
• Authors of publication: Sharber, Seth A.; Thomas, Samuel W.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 48.0806 ± 0.001 Å
• b: 4.7831 ± 0.0001 Å
• c: 28.6935 ± 0.0006 Å
• α: 90°
• β: 101.471 ± 0.001°
• γ: 90°
• Cell volume: 6467 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No