Information card for entry 7157431

Structure parameters

• Formula: C32 H33 N5 O4 S
• Calculated formula: C32 H33 N5 O4 S
• Title of publication: Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.
• Authors of publication: Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3149 - 3157
• a: 8.3154 ± 0.0014 Å
• b: 20.34 ± 0.004 Å
• c: 17.962 ± 0.003 Å
• α: 90°
• β: 101.759 ± 0.003°
• γ: 90°
• Cell volume: 2974.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1548
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No