Information card for entry 1502938

Structure parameters

• Formula: C30 H24 Cl N O2
• Calculated formula: C30 H24 Cl N O2
• SMILES: Clc1ccc(cc1)C(=O)C1=C(ON(C1c1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Highly substituted 2,3-dihydroisoxazoles by Et(3)N-catalyzed tandem reaction of electron-deficient 1,3-conjugated enynes with hydroxylamines.
• Authors of publication: Yu, Xiuzhao; Du, Bo; Wang, Kai; Zhang, Junliang
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1876 - 1879
• a: 5.5972 ± 0.0003 Å
• b: 22.0274 ± 0.0013 Å
• c: 19.8862 ± 0.0011 Å
• α: 90°
• β: 91.438 ± 0.002°
• γ: 90°
• Cell volume: 2451 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No