Information card for entry 1516049

Structure parameters

• Formula: C21 H23 F N2 O
• Calculated formula: C21 H22 F N2 O
• SMILES: Fc1c(c2c(CC(=O)NC(C)(C)C)[nH]c3c2cc(cc3)C)[c]ccc1
• Title of publication: Palladium-Catalyzed Tandem Intramolecular Oxy/Amino-Palladation/Isocyanide Insertion: Synthesis of α-Benzofuranyl/Indolylacetamides.
• Authors of publication: Thirupathi, Nuligonda; Hari Babu, Madala; Dwivedi, Vikas; Kant, Ruchir; Sridhar Reddy, Maddi
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2908 - 2911
• a: 9.073 ± 0.004 Å
• b: 11.096 ± 0.004 Å
• c: 19.557 ± 0.007 Å
• α: 90°
• β: 94.205 ± 0.006°
• γ: 90°
• Cell volume: 1963.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No