Information card for entry 7105140

Structure parameters

• Formula: C33 H27 Cl2 N O4 S
• Calculated formula: C33 H27 Cl2 N O4 S
• Title of publication: PPh3-catalyzed [2 + 2 + 2] and [4 + 2] annulations: synthesis of highly substituted 1,2-dihydropyridines (DHPs).
• Authors of publication: Liu, Huimin; Zhang, Qiongmei; Wang, Limin; Tong, Xiaofeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 312 - 314
• a: 6.7166 ± 0.0013 Å
• b: 12.567 ± 0.003 Å
• c: 18.23 ± 0.004 Å
• α: 70.43 ± 0.003°
• β: 84.28 ± 0.004°
• γ: 81.087 ± 0.004°
• Cell volume: 1430.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2767
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No