Information card for entry 7123135

Structure parameters

• Formula: C38 H41 N3 O2 S
• Calculated formula: C38 H41 N3 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: 9.7314 ± 0.0004 Å
• b: 11.3674 ± 0.0005 Å
• c: 29.2938 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3240.5 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No