Information card for entry 7227831

Structure parameters

• Chemical name: methyl (2S*,3R*)-3-(2-ethoxy-2-oxoethyl)-2-(o-tolyl)indoline-1-carboxylate
• Formula: C21 H23 N O4
• Calculated formula: C21 H23 N O4
• Title of publication: Tandem cyclisation of vinyl radicals: a sustainable approach to indolines utilizing visible-light photoredox catalysis
• Authors of publication: Pagire, Santosh K.; Reiser, Oliver
• Journal of publication: Green Chem.
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1721
• a: 10.2857 ± 0.0002 Å
• b: 22.5658 ± 0.0004 Å
• c: 7.71479 ± 0.00014 Å
• α: 90°
• β: 97.8249 ± 0.0018°
• γ: 90°
• Cell volume: 1773.97 ± 0.06 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No