Information card for entry 7122879

Structure parameters

• Formula: C19 H15 N O2
• Calculated formula: C19 H15 N O2
• Title of publication: Gold-catalyzed [4+1]-Annulation Reactions between Anthranils and 4-Methoxy-1,2-dienyl-5-ynes Involving a 1,2-Allene Shift
• Authors of publication: Liu, Rai-Shung; Hsieh, Hsiang-Chu; Tan, Kuo-Chen; Kulandai Raj, Antony Sekar
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.381 ± 0.0003 Å
• b: 13.165 ± 0.0005 Å
• c: 13.3041 ± 0.0005 Å
• α: 90°
• β: 97.823 ± 0.002°
• γ: 90°
• Cell volume: 1454.26 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No