Information card for entry 7126985

Structure parameters

• Formula: C18 H22 O5
• Calculated formula: C18 H22 O5
• 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: 31.452 ± 0.006 Å
• b: 5.5892 ± 0.0011 Å
• c: 19.232 ± 0.004 Å
• α: 90°
• β: 90.16 ± 0.03°
• γ: 90°
• Cell volume: 3380.8 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No