Information card for entry 7161236

Structure parameters

• Chemical name: 3u
• Formula: C25 H18 Cl N O5
• Calculated formula: C25 H18 Cl 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: 9.5158 ± 0.0006 Å
• b: 11.4496 ± 0.0006 Å
• c: 11.6356 ± 0.0007 Å
• α: 66.982 ± 0.005°
• β: 72.135 ± 0.005°
• γ: 72.169 ± 0.005°
• Cell volume: 1085.14 ± 0.12 ų
• Cell temperature: 297 ± 0.6 K
• Ambient diffraction temperature: 297 ± 0.6 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: 0.0664
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No