Information card for entry 7105281

Structure parameters

• Formula: C11 H14 N O4 P
• Calculated formula: C11 H14 N O4 P
• SMILES: P(=O)(OC)(OC)/C(=C/c1ccccc1)C(=O)N
• Title of publication: Manganese(III)-mediated direct phosphonation of arylalkenes and arylalkynes.
• Authors of publication: Pan, Xiang-Qiang; Zou, Jian-Ping; Zhang, Guang-Liang; Zhang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 1721 - 1723
• a: 24.732 ± 0.004 Å
• b: 9.2832 ± 0.0011 Å
• c: 18.052 ± 0.003 Å
• α: 90°
• β: 105.924 ± 0.004°
• γ: 90°
• Cell volume: 3985.5 ± 0.9 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: 0.1245
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No