Information card for entry 7134814

Structure parameters

• Formula: C18 H22 N2 O5
• Calculated formula: C18 H22 N2 O5
• Title of publication: Switchable synthesis of benzimidazole/quinoxaline <i>C</i>-glycosides with <i>o</i>-phenylenediamines and sulfoxonium ylide glyco-reagents.
• Authors of publication: Liu, Deng-Yin; Hu, Xin-Yue; Zhang, Cong-Zhen; Wen, Miao-Miao; Ren, Xiao-Xi; Liu, Xu-Ge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 65
• Pages of publication: 12131 - 12134
• a: 9.1504 ± 0.0004 Å
• b: 19.6553 ± 0.0006 Å
• c: 9.7569 ± 0.0004 Å
• α: 90°
• β: 102.207 ± 0.004°
• γ: 90°
• Cell volume: 1715.14 ± 0.12 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No