Information card for entry 7122606

Structure parameters

• Formula: C19 H23 N O3 S
• Calculated formula: C19 H23 N O3 S
• Title of publication: Palladium-catalyzed intramolecular transfer hydrogenation & cycloaddition of p-quinamine-tethered alkylidenecyclopropanes to synthesize perhydroindole scaffolds.
• Authors of publication: Cao, Bo; Wei, Yin; Shi, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 100
• Pages of publication: 14085 - 14088
• a: 7.0366 ± 0.0005 Å
• b: 20.3622 ± 0.0013 Å
• c: 12.3027 ± 0.001 Å
• α: 90°
• β: 96.424 ± 0.003°
• γ: 90°
• Cell volume: 1751.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No