Information card for entry 7105366

Structure parameters

• Common name: 1,1,3,3-tetrafluoro-4,9-diphenyl-1,3-dihydronaphtho(2,3- c)furan
• Formula: C24 H14 F4 O
• Calculated formula: C24 H14 F4 O
• SMILES: C1(c2c(c3ccccc3c(c2C(F)(F)O1)c1ccccc1)c1ccccc1)(F)F
• Title of publication: Diels-Alder reactions of 1,1,4,4-tetrafluorobutatriene.
• Authors of publication: Ehm, Christian; Lentz, Dieter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 2399 - 2401
• a: 14.189 ± 0.005 Å
• b: 7.746 ± 0.003 Å
• c: 16.523 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1816 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No