Information card for entry 1507335

Structure parameters

• Formula: C19.17 H17 N O3
• Calculated formula: C19.16 H17 N O3
• Title of publication: Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.
• Authors of publication: Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 2531 - 2534
• a: 19.154 ± 0.003 Å
• b: 19.154 ± 0.003 Å
• c: 8.393 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2666.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No