Information card for entry 7156953

Structure parameters

• Formula: C23 H24 N2 O2
• Calculated formula: C23 H24 N2 O2
• Title of publication: 1,2-Addition versus homoconjugate addition reactions of indoles and electron-rich arenes to α-cyclopropyl N-acyliminium ions: synthetic and computational studies.
• Authors of publication: Ryder, Greg M.; Wille, Uta; Willis, Anthony C.; Pyne, Stephen G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 7025 - 7035
• a: 7.3603 ± 0.0001 Å
• b: 16.089 ± 0.0002 Å
• c: 16.5566 ± 0.0002 Å
• α: 90°
• β: 92.3726 ± 0.0008°
• γ: 90°
• Cell volume: 1958.95 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0324
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No