Information card for entry 4003592

Structure parameters

• Formula: C38 H18 F8 O4
• Calculated formula: C38 H18 F8 O4
• 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: 40.925 ± 0.004 Å
• b: 40.925 ± 0.004 Å
• c: 4.6169 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6696.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No