Information card for entry 7154462

Structure parameters

• Formula: C19 H16 O
• Calculated formula: C19 H16 O
• SMILES: O=C1[C@H](C2=C(c3c(ccc4ccc(c2c34)C)C)[C@H]1C)C
• Title of publication: Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.
• Authors of publication: Duda, Blazej; Lentz, Dieter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5625 - 5628
• a: 11.088 ± 0.002 Å
• b: 18.565 ± 0.004 Å
• c: 13.258 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2729.1 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No