Information card for entry 1551095

Structure parameters

• Formula: C20 H21 N O
• Calculated formula: C20 H21 N O
• SMILES: C(=O)c1c(C)ccn2c1ccc2c1ccc(cc1)C(C)(C)C
• Title of publication: Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate
• Authors of publication: Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 6.7561 ± 0.0003 Å
• b: 8.5826 ± 0.0005 Å
• c: 14.0541 ± 0.0008 Å
• α: 90.518 ± 0.002°
• β: 90.543 ± 0.002°
• γ: 103.168 ± 0.002°
• Cell volume: 793.41 ± 0.07 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: 0.0506
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No