Information card for entry 1511885

Structure parameters

• Formula: C18 H14 F3 N O
• Calculated formula: C18 H14 F3 N O
• SMILES: O=C1N(C)c2c([C@]31C[C@H]3c1ccc(cc1)C(F)(F)F)cccc2.O=C1N(C)c2c([C@@]31C[C@@H]3c1ccc(cc1)C(F)(F)F)cccc2
• Title of publication: Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles.
• Authors of publication: Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1350 - 1353
• a: 15.2477 ± 0.0007 Å
• b: 5.8321 ± 0.0003 Å
• c: 16.7963 ± 0.0009 Å
• α: 90°
• β: 90.669 ± 0.003°
• γ: 90°
• Cell volume: 1493.53 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0515
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No