Information card for entry 4514801

Structure parameters

• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: C1(=O)C(C)(C)O[C@H]1[C@@H](c1ccccc1)Nc1ccccc1.C1(=O)C(C)(C)O[C@@H]1[C@H](c1ccccc1)Nc1ccccc1
• Title of publication: Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring
• Authors of publication: Sahani, Rajkumar Lalji; Liu, Rai-Shung
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 5890
• a: 9.859 ± 0.002 Å
• b: 10.008 ± 0.002 Å
• c: 15.838 ± 0.004 Å
• α: 93.054 ± 0.007°
• β: 90.75 ± 0.006°
• γ: 99.872 ± 0.006°
• Cell volume: 1537 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0846
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No