Information card for entry 1546189

Structure parameters

• Formula: C21 H19 N O
• Calculated formula: C21 H19 N O
• SMILES: c12ccccc1C(C)(c1ccc(cc1)C)N(c1ccccc1)O2
• Title of publication: Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.
• Authors of publication: Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3135 - 3138
• a: 9.4297 ± 0.0016 Å
• b: 9.7758 ± 0.0016 Å
• c: 18.503 ± 0.003 Å
• α: 90°
• β: 103.717 ± 0.011°
• γ: 90°
• Cell volume: 1657 ± 0.5 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276 ± 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: 0.152
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No