Information card for entry 7243783

Structure parameters

• Formula: C26 H22 N O2 P
• Calculated formula: C26 H22 N O2 P
• SMILES: P(=O)(N(C(=O)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Concise synthesis of N-phosphorylated amides through three-component reactions
• Authors of publication: Zhu, Yuan-Yuan; Zhang, Tao; Zhou, Linlin; Yang, Shang-Dong
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 9417 - 9421
• a: 15.6285 ± 0.0003 Å
• b: 9.3057 ± 0.0002 Å
• c: 14.6152 ± 0.0002 Å
• α: 90°
• β: 95.164 ± 0.002°
• γ: 90°
• Cell volume: 2116.92 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0486
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No