Information card for entry 1569346

Structure parameters

• Formula: C23 H25 N O3 S
• Calculated formula: C23 H25 N O3 S
• SMILES: S(=O)(=O)(N1C(=O)C(=C\c2ccc(cc2)C(C)(C)C)/[C@H]2[C@@H]1C2)c1ccc(cc1)C.S(=O)(=O)(N1C(=O)C(=C\c2ccc(cc2)C(C)(C)C)/[C@@H]2[C@H]1C2)c1ccc(cc1)C
• Title of publication: Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.
• Authors of publication: Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 7564 - 7568
• a: 15.4147 ± 0.0005 Å
• b: 10.4118 ± 0.0004 Å
• c: 12.7924 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.11 ± 0.12 ų
• Cell temperature: 298.37 ± 0.1 K
• Ambient diffraction temperature: 298.37 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No