Information card for entry 4003597

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: 7.6598 ± 0.0007 Å
• b: 9.193 ± 0.0009 Å
• c: 12.4157 ± 0.0012 Å
• α: 89.665 ± 0.002°
• β: 81.654 ± 0.002°
• γ: 84.678 ± 0.002°
• Cell volume: 861.26 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No