Information card for entry 1506166

Structure parameters

• Formula: C17 H18 O6
• Calculated formula: C17 H18 O6
• SMILES: O1[C@@]23[C@]4(CCC52OCCO5)C=C2[C@@](OC4=O)([C@H]1C=C3)[C@@H](O)CC2.O1[C@]23[C@@]4(CCC52OCCO5)C=C2[C@](OC4=O)([C@@H]1C=C3)[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: 11.0011 ± 0.0013 Å
• b: 12.2123 ± 0.0015 Å
• c: 11.1592 ± 0.0013 Å
• α: 90°
• β: 97.2768 ± 0.0018°
• γ: 90°
• Cell volume: 1487.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No