Information card for entry 4519304

Structure parameters

• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• Title of publication: Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine
• Authors of publication: Leclair, Alexandre; Wang, Qian; Zhu, Jieping
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 1209 - 1215
• a: 4.86815 ± 0.00014 Å
• b: 8.4796 ± 0.0003 Å
• c: 15.0305 ± 0.0004 Å
• α: 75.423 ± 0.002°
• β: 85.496 ± 0.002°
• γ: 84.466 ± 0.002°
• Cell volume: 596.74 ± 0.03 ų
• Cell temperature: 140.01 ± 0.1 K
• Ambient diffraction temperature: 140.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No