Information card for entry 7160965

Structure parameters

• Formula: C27 H26 F N O6 S
• Calculated formula: C27 H26 F N O6 S
• Title of publication: Enantioselective copper(II) catalysed (4 + 1) cycloaddition of aza-<i>o</i>-quinone methides and bromomalonates. Facile access to enantioenriched indolines.
• Authors of publication: Torres-Oya, Sergio; Fernández-Rodríguez, Manuel A; Zurro, Mercedes
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 1690 - 1696
• a: 8.532 ± 0.006 Å
• b: 12.602 ± 0.007 Å
• c: 13.827 ± 0.007 Å
• α: 66.33 ± 0.04°
• β: 89.21 ± 0.03°
• γ: 71.32 ± 0.03°
• Cell volume: 1278.5 ± 1.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2431
• Weighted residual factors for all reflections included in the refinement: 0.2805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No