Information card for entry 7157845

Structure parameters

• Formula: C23 H26 N2 O3 S Si
• Calculated formula: C23 H26 N2 O3 S Si
• Title of publication: Synthesis of 4-amino-5-allenylisoxazoles <i>via</i> gold(I)-catalysed propargyl aza-Claisen rearrangement.
• Authors of publication: Tsuda, Masato; Morita, Taiki; Fukuhara, Shintaro; Nakamura, Hiroyuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1358 - 1364
• a: 10.1798 ± 0.0002 Å
• b: 10.3113 ± 0.0002 Å
• c: 12.4879 ± 0.0003 Å
• α: 112.371 ± 0.002°
• β: 101.901 ± 0.002°
• γ: 101.004 ± 0.002°
• Cell volume: 1132.33 ± 0.05 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No