Information card for entry 7126987

Structure parameters

• Formula: C23 H25 N O6 S
• Calculated formula: C23 H25 N O6 S
• Title of publication: P^III-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.
• Authors of publication: Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 70
• Pages of publication: 10251 - 10254
• a: 8.7393 ± 0.0002 Å
• b: 9.8405 ± 0.0003 Å
• c: 28.488 ± 0.0006 Å
• α: 80.848 ± 0.002°
• β: 87.645 ± 0.002°
• γ: 69.047 ± 0.002°
• Cell volume: 2258.48 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No