Information card for entry 7153503

Structure parameters

• Formula: C14 H10 O4
• Calculated formula: C14 H10 O4
• SMILES: C12(C(=O)c3ccccc3C(=O)C1)C=C(C(=O)O2)C
• Title of publication: Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.
• Authors of publication: Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 5490 - 5494
• a: 11.0794 ± 0.0003 Å
• b: 5.2878 ± 0.0001 Å
• c: 19.8876 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1165.13 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No