Information card for entry 1506167

Structure parameters

• Formula: C17 H20 O6
• Calculated formula: C17 H20 O6
• SMILES: O1[C@]23[C@]4(CCC52OCCO5)C=C2[C@@](OC4=O)([C@@H]1CC3)[C@@H](O)CC2
• Title of publication: Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.
• Authors of publication: Song, Dong; McDonald, Robert; West, F. G.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 4075 - 4078
• a: 6.0006 ± 0.0008 Å
• b: 8.0097 ± 0.0011 Å
• c: 14.4792 ± 0.0019 Å
• α: 90°
• β: 90.68 ± 0.002°
• γ: 90°
• Cell volume: 695.86 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No