Information card for entry 1511884

Structure parameters

• Formula: C17 H14 Cl N O
• Calculated formula: C17 H14 Cl N O
• SMILES: Clc1ccc([C@@H]2[C@@]3(C(=O)N(C)c4ccccc34)C2)cc1.Clc1ccc([C@H]2[C@]3(C(=O)N(C)c4ccccc34)C2)cc1
• 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: 12.5875 ± 0.0008 Å
• b: 17.8684 ± 0.0012 Å
• c: 6.0173 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1353.4 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No