Information card for entry 1568950

Structure parameters

• Formula: C16 H19 N O
• Calculated formula: C16 H19 N O
• Title of publication: Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.
• Authors of publication: Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5196 - 5203
• a: 11.82272 ± 0.00018 Å
• b: 8.08217 ± 0.0001 Å
• c: 14.6182 ± 0.0002 Å
• α: 90°
• β: 111.144 ± 0.0018°
• γ: 90°
• Cell volume: 1302.78 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No