Information card for entry 7160941

Structure parameters

• Formula: C30 H27 Cl N2 O2
• Calculated formula: C30 H27 Cl N2 O2
• 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: 9.8224 ± 0.0003 Å
• b: 10.4896 ± 0.0003 Å
• c: 12.9397 ± 0.0004 Å
• α: 107.516 ± 0.001°
• β: 95.106 ± 0.001°
• γ: 103.45 ± 0.001°
• Cell volume: 1218.22 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0463
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No