Information card for entry 1512057

Structure parameters

• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: O1c2c(c(=O)oc(c2)C)[C@@H]2[C@H]1C=COC2.O1c2c(c(=O)oc(c2)C)[C@H]2[C@@H]1C=COC2
• Title of publication: Pd-Catalyzed Allylic Alkylation Cascade with Dihydropyrans: Regioselective Synthesis of Furo[3,2-c]pyrans
• Authors of publication: Bartlett, Mark J.; Turner, Claire A.; Harvey, Joanne E.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2430
• a: 7.7627 ± 0.0003 Å
• b: 11.0574 ± 0.0004 Å
• c: 11.2765 ± 0.0004 Å
• α: 90°
• β: 103.614 ± 0.002°
• γ: 90°
• Cell volume: 940.73 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0488
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No