Information card for entry 7238707

Structure parameters

• Formula: C20 H17 Cl2 N O
• Calculated formula: C20 H17 Cl2 N O
• Title of publication: Yb(OTf)3 mediated MCR: a new and regioselective approach towards polysubstituted pyrroles of pharmacological interest
• Authors of publication: Reddy, G. Rajeshwar; Reddy, T. Ram; Joseph, Suju C.; Reddy, K. Sateesh; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rambabu, D.; Krishna, G. Rama; Reddy, C. Malla; Parsa, Kishore V. L.; Kumar, K. Shiva; Pal, Manojit
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 24
• Pages of publication: 9142
• a: 12.536 ± 0.002 Å
• b: 7.7673 ± 0.0011 Å
• c: 18.601 ± 0.003 Å
• α: 90°
• β: 104.154 ± 0.004°
• γ: 90°
• Cell volume: 1756.2 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.136
• 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: No
• Has Fobs: No