Information card for entry 7161235

Structure parameters

• Chemical name: 1-(4-bromophenyl)-2-ethoxy-2-oxoethyl 6-methoxy-1H-indole-3-carboxylate
• Formula: C20 H18 Br N O5
• Calculated formula: C20 H17 Br N O5
• Title of publication: Metal-free O-H insertion enables access to heterocycle-rich α-carbonyloxy esters.
• Authors of publication: Mohit, ?; Sharma, Ritika; Rawat, Diwan S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• a: 7.3385 ± 0.0007 Å
• b: 8.8458 ± 0.001 Å
• c: 16.268 ± 0.003 Å
• α: 75.089 ± 0.012°
• β: 88.658 ± 0.01°
• γ: 86.199 ± 0.008°
• Cell volume: 1018.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2442
• Residual factor for significantly intense reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.3119
• Weighted residual factors for all reflections included in the refinement: 0.3437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.523
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No