Information card for entry 7120455

Structure parameters

• Formula: C19 H20 N2 O3
• Calculated formula: C19 H20 N2 O3
• SMILES: C(=O)(c1ccc(cc1)OC)NCC1(C(=O)N(c2ccccc12)C)C
• Title of publication: Visible light sensitization of benzoyl azides: cascade cyclization toward oxindoles via a non-nitrene pathway
• Authors of publication: Bagal, Dattatraya B. B; Park, Sung-Woo; Song, Hyun-Ji; Chang, Sukbok
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 17.4957 ± 0.0004 Å
• b: 13.0591 ± 0.0004 Å
• c: 16.2596 ± 0.0005 Å
• α: 90°
• β: 113.447 ± 0.0011°
• γ: 90°
• Cell volume: 3408.21 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No