Information card for entry 7119643

Structure parameters

• Formula: C26 H23 N O3
• Calculated formula: C26 H23 N O3
• SMILES: c12ccccc1[C@]1(C(=O)N(c3ccccc13)C)C[C@@]2(C(=O)OCC)c1ccccc1.c12ccccc1[C@@]1(C(=O)N(c3ccccc13)C)C[C@]2(C(=O)OCC)c1ccccc1
• Title of publication: Synthesis of spiro-oxoindoles through Pd-catalyzed remote C-H alkylation using α-diazocarbonyl compounds.
• Authors of publication: Pérez-Gómez, Marta; Hernández-Ponte, Sergio; Bautista, Delia; García-López, José-Antonio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 2842 - 2845
• a: 10.1626 ± 0.0006 Å
• b: 8.6719 ± 0.0005 Å
• c: 22.3916 ± 0.0013 Å
• α: 90°
• β: 92.173 ± 0.002°
• γ: 90°
• Cell volume: 1971.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1057
• 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: No
• Has Fobs: No