Information card for entry 7125104

Structure parameters

• Formula: C23 H21 N O3
• Calculated formula: C23 H21 N O3
• Title of publication: Chemodivergent synthesis of multi-substituted/fused pyrroles via copper-catalyzed carbene cascade reaction of propargyl α-iminodiazoacetates.
• Authors of publication: Zhang, Cheng; Chang, Sailan; Qiu, Lihua; Xu, Xinfang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12470 - 12473
• a: 8.6755 ± 0.0007 Å
• b: 10.6916 ± 0.001 Å
• c: 11.439 ± 0.0009 Å
• α: 69.968 ± 0.008°
• β: 73.363 ± 0.007°
• γ: 72.428 ± 0.007°
• Cell volume: 930.3 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No