Information card for entry 7133708

Structure parameters

• Formula: C21 H19 Br N2 O2
• Calculated formula: C21 H19 Br N2 O2
• Title of publication: Room temperature C-O bond cleavage of vinyl cyclic synthons <i>via</i> a metallaphotoredox approach.
• Authors of publication: Keshri, Santosh Kumar; Kapur, Manmohan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 79
• Pages of publication: 11164 - 11167
• a: 29.287 ± 0.007 Å
• b: 8.8974 ± 0.0018 Å
• c: 14.848 ± 0.003 Å
• α: 90°
• β: 110.05 ± 0.012°
• γ: 90°
• Cell volume: 3634.6 ± 1.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No