Information card for entry 4133644

Structure parameters

• Chemical name: diol
• Formula: C17 H19 N3 O6
• Calculated formula: C17 H19 N3 O6
• Title of publication: Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.
• Authors of publication: Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 657 - 670
• a: 36.4159 ± 0.0009 Å
• b: 36.4159 ± 0.0009 Å
• c: 6.6637 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7652.9 ± 0.4 ų
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No