Information card for entry 7157629

Structure parameters

• Formula: C11 H11 N O2
• Calculated formula: C11 H11 N O2
• Title of publication: BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.
• Authors of publication: Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 6042 - 6046
• a: 7.5291 ± 0.0008 Å
• b: 7.4902 ± 0.0008 Å
• c: 17.0281 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 960.29 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No