Information card for entry 1554532

Structure parameters

• Formula: C19 H15 N O3
• Calculated formula: C19 H15 N O3
• SMILES: O(C)c1cc2/C(=C3/Nc4c(cccc4C=C3)C)C(=O)Oc2cc1
• Title of publication: Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides
• Authors of publication: Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 226
• a: 14.3845 ± 0.0014 Å
• b: 4.3448 ± 0.0004 Å
• c: 23.199 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1449.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No