Information card for entry 1503634

Structure parameters

• Formula: C15 H16 N O10 P
• Calculated formula: C15 H16 N O10 P
• SMILES: P(=O)(OC)(OC)C(=C(C(=O)c1ccc(N(=O)=O)cc1)\C(=O)OC)\C(=O)OC
• Title of publication: Novel Three-Component Route to Diastereoselective Synthesis of Trisubstituted Vinylphosphonates Using Phosphites, Acetylenic Esters, and Aroyl Chlorides
• Authors of publication: Rostamnia, Sadegh; Alizadeh, Abdolali; Zhu, Long-Guan
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 143
• a: 9.1421 ± 0.001 Å
• b: 20.355 ± 0.002 Å
• c: 9.6776 ± 0.001 Å
• α: 90°
• β: 90.67 ± 0.001°
• γ: 90°
• Cell volume: 1800.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No