Information card for entry 1554499

Structure parameters

• Formula: C27 H22 N O2 P
• Calculated formula: C27 H22 N O2 P
• SMILES: c1(ccccc1)C(=O)N/C=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides
• Authors of publication: Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 236
• a: 7.8836 ± 0.0005 Å
• b: 12.2399 ± 0.0008 Å
• c: 11.1988 ± 0.0008 Å
• α: 90°
• β: 90.174 ± 0.002°
• γ: 90°
• Cell volume: 1080.62 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No