Information card for entry 1502123

Structure parameters

• Formula: C33 H26 Cl2 N O6 P
• Calculated formula: C33 H26 Cl2 N O6 P
• SMILES: C1(=O)C(C(=C(c2ccc(cc2)N(=O)=O)O1)/C=C/C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Three-component and nonclassical reaction of phosphines with enynes and aldehydes: formation of γ-lactones featuring α-phosphorus ylides.
• Authors of publication: Deng, Jie-Cheng; Chuang, Shih-Ching
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2248 - 2251
• a: 10.5159 ± 0.0007 Å
• b: 12.1257 ± 0.0008 Å
• c: 12.5652 ± 0.0008 Å
• α: 86.115 ± 0.001°
• β: 75.775 ± 0.001°
• γ: 74.108 ± 0.001°
• Cell volume: 1493.73 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No