Information card for entry 7126986

Structure parameters

• Formula: C23 H21 N O9
• Calculated formula: C23 H21 N O9
• 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: 9.4995 ± 0.0019 Å
• b: 9.5604 ± 0.0019 Å
• c: 12.684 ± 0.003 Å
• α: 97.84 ± 0.03°
• β: 105.01 ± 0.03°
• γ: 103.9 ± 0.03°
• Cell volume: 1055.5 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No