Information card for entry 7160942

Structure parameters

• Formula: C28 H29 Br N2 O4
• Calculated formula: C28 H29 Br N2 O4
• Title of publication: Unusual C-2 selectivity of Grignard additions to <i>N</i>-Boc-protected isatin 3-imines.
• Authors of publication: Plakas, Alexandra Mary; Butsi, Kamogelo Rosinah; Lala, Sahil; van Zyl, Robyn Lynne; Fernandes, Manuel Antonio; Ntsimango, Songeziwe; Bode, Moira Leanne; Rousseau, Amanda Louise
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 1672 - 1677
• a: 14.1456 ± 0.0018 Å
• b: 17.8889 ± 0.0019 Å
• c: 10.4103 ± 0.0013 Å
• α: 90°
• β: 103.055 ± 0.004°
• γ: 90°
• Cell volume: 2566.2 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0702
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No