Information card for entry 7160405

Structure parameters

• Formula: C20 H21 N O3 S
• Calculated formula: C20 H21 N O3 S
• Title of publication: Highly enantio-selective synthesis of aza-spirocyclic indanones <i>via</i> rhodium catalysis.
• Authors of publication: Kou, Cai-Lan; Yang, Long; Sun, Ling-Zhi; Li, Meng; Luo, Xi; Guo, Hong-Bo; Xie, Jian-Bo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 15
• Pages of publication: 3542 - 3546
• a: 12.3191 ± 0.0006 Å
• b: 11.9918 ± 0.0007 Å
• c: 12.3216 ± 0.0006 Å
• α: 90°
• β: 90.368 ± 0.002°
• γ: 90°
• Cell volume: 1820.21 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No