Information card for entry 7123134

Structure parameters

• Formula: C28 H26 Cl2 N2 O2 S
• Calculated formula: C28 H26 Cl2 N2 O2 S
• Title of publication: Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution
• Authors of publication: Shi, Min; Zhang, Yan-Yan; Wei, Yin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.5142 ± 0.0005 Å
• b: 11.8312 ± 0.0008 Å
• c: 13.0004 ± 0.0008 Å
• α: 90°
• β: 106.969 ± 0.003°
• γ: 90°
• Cell volume: 1252.56 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No