Information card for entry 7105282

Structure parameters

• Formula: C17 H17 O5 P
• Calculated formula: C17 H17 O5 P
• SMILES: P(=O)(OC)(OC)C1=C(c2c(C1=O)cccc2)c1ccccc1.O
• 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: 10.723 ± 0.004 Å
• b: 7.421 ± 0.002 Å
• c: 10.609 ± 0.004 Å
• α: 90°
• β: 103.992 ± 0.008°
• γ: 90°
• Cell volume: 819.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No