Information card for entry 4124258

Structure parameters

• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: O=C1O[C@@](c2c1cccc2)(CO)c1ccccc1
• Title of publication: Asymmetric Fluorolactonization with a Bifunctional Hydroxyl Carboxylate Catalyst.
• Authors of publication: Egami, Hiromichi; Asada, Junshi; Sato, Kentaro; Hashizume, Daisuke; Kawato, Yuji; Hamashima, Yoshitaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10132 - 10135
• a: 8.8064 ± 0.00016 Å
• b: 5.77199 ± 0.0001 Å
• c: 11.9726 ± 0.0002 Å
• α: 90°
• β: 111.463 ± 0.0011°
• γ: 90°
• Cell volume: 566.371 ± 0.018 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No