Information card for entry 7059135

Structure parameters

• Common name: Hexamethylbenzene . Tetrafluoro-1,4-benzoquinone
• Chemical name: Hexamethylbenzene . Tetrafluoro-1,4-benzoquinone
• Formula: C18 H18 F4 O2
• Calculated formula: C18 H18 F3.9996 O1.9998
• Title of publication: Influence of molecular width on the thermal expansion in solids
• Authors of publication: Rather, Sumair A.; Saraswatula, Viswanadha G.; Sharada, Durgam; Saha, Binoy K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 17146
• a: 14.6259 ± 0.0012 Å
• b: 14.6259 ± 0.0012 Å
• c: 6.7359 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1247.88 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1561
• 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: Yes
• Has Fobs: No