Information card for entry 7712871

Structure parameters

• Chemical name: Dimethyl (E)-2-(4-(diphenylphosphoryl)but-2-en-1-yl) malonate
• Formula: C21 H23 O5 P
• Calculated formula: C21 H23 O5 P
• SMILES: P(=O)(C/C=C/CC(C(=O)OC)C(=O)OC)(c1ccccc1)c1ccccc1
• Title of publication: UV Induced Hydrophosphination of Dimethyl-2-Vinylcyclopropane-1, 1-Dicarboxylate Towards Phosphine Chalcogenides
• Authors of publication: Adjei, Jeanette A.; Kerr, Michael A.; Ragogna, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.3445 ± 0.0014 Å
• b: 13.716 ± 0.003 Å
• c: 14.665 ± 0.002 Å
• α: 66.288 ± 0.006°
• β: 81.061 ± 0.006°
• γ: 81.653 ± 0.006°
• Cell volume: 2055.2 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No