Information card for entry 7156980

Structure parameters

• Common name: Diethyl 2,2-bis((2-oxotetrahydrofuran-3-yl)methyl)malonate
• Formula: C17 H24 O8
• Calculated formula: C17 H24 O8
• Title of publication: Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.
• Authors of publication: Salin, Alexey V.; Islamov, Daut R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 7293 - 7299
• a: 10.1251 ± 0.0006 Å
• b: 10.1582 ± 0.0007 Å
• c: 17.4602 ± 0.0011 Å
• α: 90°
• β: 95.237 ± 0.004°
• γ: 90°
• Cell volume: 1788.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No