Information card for entry 7135000

Structure parameters

• Formula: C21 H18 N O2 P
• Calculated formula: C21 H18 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: 11.6354 ± 0.0007 Å
• b: 11.6264 ± 0.0007 Å
• c: 13.4546 ± 0.0008 Å
• α: 90°
• β: 91.652 ± 0.002°
• γ: 90°
• Cell volume: 1819.35 ± 0.19 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No