Information card for entry 1551097

Structure parameters

• Formula: C19 H18 Cl N O
• Calculated formula: C19 H18 Cl N O
• SMILES: c1(ccc(cc1)c1ccc2c(CCCC)c(C=O)ccn12)Cl
• 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: 8.3841 ± 0.0009 Å
• b: 13.7451 ± 0.0015 Å
• c: 14.1044 ± 0.0015 Å
• α: 90.77 ± 0.003°
• β: 97.215 ± 0.003°
• γ: 94.98 ± 0.003°
• Cell volume: 1606 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1365
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No