Information card for entry 4037532

Structure parameters

• Formula: C30 H40 O6
• Calculated formula: C30 H40 O6
• SMILES: O(CC)C(=O)C(=C=C)C(c1cc(OC)c(OC)c(OC)c1)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Fluoride-Mediated α-Selective 1,6-Conjugate Addition of Allenic Esters to p-Quinone Methides.
• Authors of publication: Vaishanv, Narendra Kumar; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8759 - 8767
• a: 13.235 ± 0.005 Å
• b: 14.871 ± 0.004 Å
• c: 14.848 ± 0.005 Å
• α: 90°
• β: 108.269 ± 0.006°
• γ: 90°
• Cell volume: 2775 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No