Information card for entry 4514799

Structure parameters

• Formula: C24 H22 N2 O
• Calculated formula: C24 H22 N2 O
• SMILES: C1(C)(C)c2c(c3c(cccc3)[nH]2)C(c2ccccc2)N(c2ccccc2)O1
• 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: 10.4266 ± 0.0017 Å
• b: 18.053 ± 0.003 Å
• c: 19.734 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3714.6 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No