Information card for entry 1507028

Structure parameters

• Formula: C17 H12 F3 N O
• Calculated formula: C17 H12 F3 N O
• SMILES: C1(=O)C(=C\c2ccc(cc2)C(F)(F)F)/c2c(cccc2)N1C
• Title of publication: One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.
• Authors of publication: Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3477 - 3480
• a: 14.1031 ± 0.0014 Å
• b: 14.1003 ± 0.0011 Å
• c: 7.1912 ± 0.0007 Å
• α: 90°
• β: 104.698 ± 0.008°
• γ: 90°
• Cell volume: 1383.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No