Information card for entry 4513884

Structure parameters

• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: O=C(OCC)c1cc2n(c(c(c2cc1)c1ccccc1)c1ccccc1)C
• Title of publication: Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization
• Authors of publication: Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 3856
• a: 12.787 ± 0.002 Å
• b: 12.7131 ± 0.0018 Å
• c: 12.427 ± 0.002 Å
• α: 90°
• β: 114.445 ± 0.003°
• γ: 90°
• Cell volume: 1839.1 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No