Information card for entry 7155261

Structure parameters

• Chemical name: (±)-diethyl ((1R,5S,6S)-2-oxo-6-phenyl-3-oxabicyclo[3.1.0]hexan-1-yl)phosphonate
• Formula: C15 H19 O5 P
• Calculated formula: C15 H19 O5 P
• Title of publication: Phosphorylated cyclopropanes in the synthesis of α-alkylidene-γ-butyrolactones: total synthesis of (±)-savinin, (±)-gadain and (±)-peperomin E.
• Authors of publication: Lloyd, Matthew G.; Taylor, Richard J. K.; Unsworth, William P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 8971 - 8988
• a: 12.1129 ± 0.00015 Å
• b: 10.43581 ± 0.00014 Å
• c: 11.94338 ± 0.00015 Å
• α: 90°
• β: 90.0578 ± 0.0013°
• γ: 90°
• Cell volume: 1509.74 ± 0.03 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No