Information card for entry 7157432

Structure parameters

• Formula: C32 H29 Cl0 N3 O4 S
• Calculated formula: C32 H29 N3 O4 S
• SMILES: S(=O)(=O)(N1C(=C(/N=N/c2ccc(cc2)C(=O)OCC)C(C1)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• 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: 14.818 ± 0.006 Å
• b: 11.92 ± 0.005 Å
• c: 16.557 ± 0.007 Å
• α: 90°
• β: 91.828 ± 0.007°
• γ: 90°
• Cell volume: 2923 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No