Information card for entry 1568272

Structure parameters

• Chemical name: (1R,2S,3R)-2-methyl-3-(1-methyl-1H-indol-5-yl)-2-phenylcyclopropyl 3,5-dibromobenzoate
• Formula: C26 H21 Br2 N O2
• Calculated formula: C26 H21 Br2 N O2
• Title of publication: Enantioselective Suzuki cross-coupling of 1,2-diboryl cyclopropanes.
• Authors of publication: Teresa, Javier; Velado, Marina; Fernández de la Pradilla, Roberto; Viso, Alma; Lozano, Blanca; Tortosa, Mariola
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1575 - 1581
• a: 8.6562 ± 0.0007 Å
• b: 23.5435 ± 0.0018 Å
• c: 11.2698 ± 0.0009 Å
• α: 90°
• β: 97.609 ± 0.004°
• γ: 90°
• Cell volume: 2276.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No