Information card for entry 7125103

Structure parameters

• Formula: C19 H13 N O4
• Calculated formula: C19 H13 N O4
• 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: 10.7549 ± 0.0006 Å
• b: 7.0492 ± 0.0004 Å
• c: 19.1664 ± 0.0012 Å
• α: 90°
• β: 102.5 ± 0.002°
• γ: 90°
• Cell volume: 1418.63 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1298
• 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