Information card for entry 1568947

Structure parameters

• Formula: C21 H22 I N O3 S
• Calculated formula: C21 H22 I N O3 S
• Title of publication: Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.
• Authors of publication: Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5431 - 5437
• a: 10.9449 ± 0.0002 Å
• b: 13.156 ± 0.0005 Å
• c: 14.6317 ± 0.0006 Å
• α: 77.386 ± 0.003°
• β: 82.198 ± 0.003°
• γ: 89.881 ± 0.002°
• Cell volume: 2036.12 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0819
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No