Information card for entry 4030956

Structure parameters

• Formula: C19 H20 N2 O4 Si
• Calculated formula: C19 H20 N2 O4 Si
• SMILES: [Si](/C=C1/N(Cc2occc2)C=C(C1=O)c1ccc(N(=O)=O)cc1)(C)(C)C
• Title of publication: Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.
• Authors of publication: Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4545 - 4552
• a: 10.7185 ± 0.001 Å
• b: 16.4457 ± 0.0017 Å
• c: 21.179 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3733.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No