Information card for entry 1556106

Structure parameters

• Formula: C28 H16 F6 O2
• Calculated formula: C28 H16 F6 O2
• Title of publication: Conformational and electronic engineering of twisted diphenylacetylenes.
• Authors of publication: Brizius, Glen; Billingsley, Kelvin; Smith, Mark D.; Bunz, Uwe H. F.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3951 - 3954
• a: 19.3494 ± 0.0011 Å
• b: 20.3274 ± 0.0011 Å
• c: 22.3761 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8801 ± 0.9 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No