Information card for entry 7230902

Structure parameters

• Formula: C21 H15 N O2
• Calculated formula: C21 H15 N O2
• Title of publication: Copper-catalyzed tandem reaction of 2-alkynylanilines with benzoquinones: efficient access to 3-indolylquinones
• Authors of publication: Jillella, Raveendra; Oh, Chang Ho
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 39
• Pages of publication: 22122
• a: 9.6735 ± 0.001 Å
• b: 9.813 ± 0.001 Å
• c: 9.8262 ± 0.0012 Å
• α: 102.69 ± 0.003°
• β: 102.936 ± 0.004°
• γ: 114.855 ± 0.003°
• Cell volume: 771.22 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No