Information card for entry 2108286

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: 11.505 ± 0.001 Å
• b: 6.235 ± 0.0006 Å
• c: 16.0118 ± 0.0016 Å
• α: 90°
• β: 109.293 ± 0.006°
• γ: 90°
• Cell volume: 1084.08 ± 0.18 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: 0.0506
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.087
• 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: Yes