Information card for entry 1518614

Structure parameters

• Formula: C22 H16 F N O
• Calculated formula: C22 H16 F N O
• SMILES: Fc1ccc(CC23c4c(N(C2=O)C)cccc4c2ccccc32)cc1
• Title of publication: Pd-Catalyzed Dehydrogenative Aryl-Aryl Bond Formation via Double C(sp(2))-H Bond Activation: Efficient Synthesis of [3,4]-Fused Oxindoles.
• Authors of publication: Bunescu, Ala; Piou, Tiffany; Wang, Qian; Zhu, Jieping
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 334 - 337
• a: 8.922 ± 0.0005 Å
• b: 16.7585 ± 0.0007 Å
• c: 11.2263 ± 0.0006 Å
• α: 90°
• β: 108.038 ± 0.006°
• γ: 90°
• Cell volume: 1596.05 ± 0.15 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No