Information card for entry 4003594

Structure parameters

• Formula: C42 H28 F8 N2 O4
• Calculated formula: C42 H28 F8 N2 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: 7.5445 ± 0.001 Å
• b: 16.744 ± 0.002 Å
• c: 16.82 ± 0.002 Å
• α: 60.589 ± 0.002°
• β: 77.321 ± 0.003°
• γ: 81.33 ± 0.002°
• Cell volume: 1803.5 ± 0.4 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No