Information card for entry 7120338

Structure parameters

• Formula: C25 H20 O3
• Calculated formula: C25 H20 O3
• SMILES: O=C1c2c(cc(OC)cc2)[C@H](O)C\1=C/C=C(c1ccccc1)c1ccccc1
• Title of publication: Enantioselective organocatalytic intramolecular Morita-Baylis-Hillman (IMBH) reaction of dienones, and elaboration of the IMBH adducts to fluorenones
• Authors of publication: Satpathi, Bishnupada; Wagulde , Siddhant V.; Ramasastry, S. S. V.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.1899 ± 0.0004 Å
• b: 13.3377 ± 0.0005 Å
• c: 14.494 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1969.88 ± 0.14 ų
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0529
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No