Information card for entry 7157929

Structure parameters

• Formula: C23 H27 Br N4 O
• Calculated formula: C23 H27 Br N4 O
• Title of publication: Nickel-promoted oxidative domino C_sp3-H/N-H bond double-isocyanide insertion reaction to construct pyrrolin-2-ones.
• Authors of publication: Wen, Li-Rong; Wang, Ning-Ning; Du, Wu-Bo; Ma, Qiang; Zhang, Lin-Bao; Li, Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 2895 - 2900
• a: 11.5777 ± 0.0016 Å
• b: 12.8278 ± 0.0018 Å
• c: 15.3442 ± 0.0019 Å
• α: 77.929 ± 0.005°
• β: 76.867 ± 0.005°
• γ: 88.501 ± 0.005°
• Cell volume: 2169.6 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0616
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No