Information card for entry 7133435

Structure parameters

• Formula: C38 H44 F2 N2 O4
• Calculated formula: C38 H44 F2 N2 O4
• Title of publication: Tribromide enabled step-up generation of spirolactams from esters employing oxidative dearomatization of arenols.
• Authors of publication: Roy, Barnali; Avasare, Vidya; Sarkar, Debayan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 69
• Pages of publication: 9206 - 9209
• a: 8.6691 ± 0.0005 Å
• b: 21.3606 ± 0.0011 Å
• c: 18.6802 ± 0.0011 Å
• α: 90°
• β: 99.169 ± 0.005°
• γ: 90°
• Cell volume: 3414.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No