Information card for entry 4003590

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: 6.8439 ± 0.0008 Å
• b: 31.466 ± 0.004 Å
• c: 7.0224 ± 0.0008 Å
• α: 90°
• β: 109.878 ± 0.002°
• γ: 90°
• Cell volume: 1422.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No