Information card for entry 7119391

Structure parameters

• Formula: C39 H36 Cl3 N3 O6 S2
• Calculated formula: C39 H35 Cl3 N3 O6 S2
• Title of publication: Direct N-H/α,α,β,β-C(sp(3))-H functionalization of piperidine via an azomethine ylide route: synthesis of spirooxindoles bearing 3-substituted oxindoles.
• Authors of publication: Du, Yanlong; Yu, Aimin; Jia, Jiru; Zhang, Youquan; Meng, Xiangtai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1684 - 1687
• a: 12.092 ± 0.002 Å
• b: 12.945 ± 0.002 Å
• c: 13.599 ± 0.003 Å
• α: 98.723 ± 0.003°
• β: 112.832 ± 0.004°
• γ: 96.192 ± 0.002°
• Cell volume: 1906.4 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No