Information card for entry 2108285

Structure parameters

• Formula: C14 H8 F3 O
• Calculated formula: C14 H8 F3 O
• Title of publication: Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer
• Authors of publication: Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• a: 23.238 ± 0.004 Å
• b: 7.5293 ± 0.0011 Å
• c: 6.2437 ± 0.0009 Å
• α: 90°
• β: 92.83 ± 0.006°
• γ: 90°
• Cell volume: 1091.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes