Information card for entry 1506246

Structure parameters

• Formula: C22 H15 N3 O5
• Calculated formula: C22 H15 N3 O5
• SMILES: O=C1N(c2c(/C1=C(\c1ccccc1)c1c(cccc1)N(=O)=O)cc(N(=O)=O)cc2)C
• Title of publication: Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.
• Authors of publication: Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4927 - 4930
• a: 13.7213 ± 0.0009 Å
• b: 7.7011 ± 0.0006 Å
• c: 19.5546 ± 0.0013 Å
• α: 90°
• β: 110.252 ± 0.004°
• γ: 90°
• Cell volume: 1938.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0797
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No