Information card for entry 7156978

Structure parameters

• Common name: Diethyl 2,2-bis(2-((1R,5R,6S,7S,10S,11S)-1,10-epoxyguaia-3-ene-6,12-olid)methyl)malonate
• Formula: C37 H48 O10
• Calculated formula: C37 H48 O10
• 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: 9.751 ± 0.0007 Å
• b: 16.7972 ± 0.0013 Å
• c: 20.8431 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3413.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No