Information card for entry 7153909

Structure parameters

• Formula: C24 H16 O3 Se
• Calculated formula: C24 H16 O3 Se
• SMILES: [Se](c1ccccc1)C1=C(OC(=O)[C@@]21C(=O)c1c(C2)cccc1)c1ccccc1
• Title of publication: Efficient asymmetric synthesis of spiro-2(3H)-furanones via phase-transfer-catalyzed alkynylation.
• Authors of publication: Wu, Xiangfei; Shirakawa, Seiji; Maruoka, Keiji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 29
• Pages of publication: 5388 - 5392
• a: 9.96379 ± 0.00018 Å
• b: 10.04828 ± 0.00018 Å
• c: 19.6441 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1966.75 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.604
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No