Information card for entry 7105367

Structure parameters

• Common name: 2,3-bis(difluoromethylene)-1,2,3,4-tetrahydro-1,4-diphenyl- 1,4-epoxynaphthalene
• Formula: C24 H14 F4 O
• Calculated formula: C24 H14 F4 O
• SMILES: C(=C1[C@@]2(c3ccccc3[C@@](C1=C(F)F)(c1ccccc1)O2)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: 14.81 ± 0.006 Å
• b: 8.927 ± 0.003 Å
• c: 26.933 ± 0.01 Å
• α: 90°
• β: 91.12 ± 0.01°
• γ: 90°
• Cell volume: 3560 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.156
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No