Information card for entry 7128944

Structure parameters

• Formula: C19 H15 Br O5
• Calculated formula: C19 H15 Br O5
• Title of publication: NHC-catalyzed enantioselective C2-functionalization of 3-hydroxychromenones <i>via</i> α,β-unsaturated acyl azoliums.
• Authors of publication: Dzieszkowski, Krzysztof; Słotwiński, Michał; Rafińska, Katarzyna; Muzioł, Tadeusz M; Rafiński, Zbigniew
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 78
• Pages of publication: 9999 - 10002
• a: 17.401 ± 0.008 Å
• b: 5.9984 ± 0.0013 Å
• c: 18.889 ± 0.006 Å
• α: 90°
• β: 115.06 ± 0.05°
• γ: 90°
• Cell volume: 1786 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No