Information card for entry 7123100

Structure parameters

• Formula: C14 H21 N O S2
• Calculated formula: C14 H21 N O S2
• Title of publication: Asymmetric Synthesis of 1-Substituted 2-Azaspiro[3.3]heptanes: An Important Motifs for Modern Drug Discovery.
• Authors of publication: Reddy, Leleti Rajender; Yogesh, Waman; Kallure, Priya; Swamy, Kumara; Begum, Zubeda; thumbar, Divya; Sharadsrikar, Kotturi
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.5013 ± 0.0008 Å
• b: 12.0985 ± 0.0012 Å
• c: 15.0956 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1552.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0362
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No