Information card for entry 7134999

Structure parameters

• Formula: C21 H16 N O2 P
• Calculated formula: C21 H16 N O2 P
• Title of publication: Concise synthesis of phosphonylated heteroarenes from nitroheteroarenes by dearomatization/elimination.
• Authors of publication: Meng, Li-Qin; Zhu, Xinrong; Xing, Qiaoyan; Zhang, Junliang; Wang, Huamin; Lin, Ying-Wu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 86
• Pages of publication: 16810 - 16813
• a: 8.71 ± 0.003 Å
• b: 10.081 ± 0.004 Å
• c: 11.048 ± 0.004 Å
• α: 99.774 ± 0.012°
• β: 106.774 ± 0.013°
• γ: 100.943 ± 0.013°
• Cell volume: 885.5 ± 0.6 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 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: 0.062
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No