Information card for entry 7058092

Structure parameters

• Formula: C33 H24 O
• Calculated formula: C33 H24 O
• Title of publication: Remarkable isomeric effects on the mechanofluorochromism of tetraphenylethylene-based D‒π‒A derivatives
• Authors of publication: Jia, Junhui; Zhao, Haixia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2231
• a: 8.9492 ± 0.0006 Å
• b: 15.0001 ± 0.0008 Å
• c: 18.6066 ± 0.001 Å
• α: 90°
• β: 94.265 ± 0.002°
• γ: 90°
• Cell volume: 2490.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No