Information card for entry 7106603

Structure parameters

• Formula: C27 H22 F3 N O
• Calculated formula: C27 H22 F3 N O
• SMILES: c1(c(cn(c1C)Cc1ccccc1)c1cc(c2ccc(cc2)C(F)(F)F)ccc1)C(=O)C
• Title of publication: Pd-mediated new synthesis of pyrroles: their evaluation as potential inhibitors of phosphodiesterase 4
• Authors of publication: G. Rajeshwar Reddy; T. Ram Reddy; Suju C. Joseph; K. Sateesh Reddy; L. Srinivasula Reddy; P. Mahesh Kumar; G. Rama Krishna; C. Malla Reddy; D. Rambabu; Ravikumar Kapavarapu; Chandana Lakshmi; Teja Meda; K. Krishna Priya; Kishore V. L. Parsa; Manojit Pal
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7779
• a: 7.7605 ± 0.0005 Å
• b: 10.266 ± 0.0008 Å
• c: 14.6746 ± 0.0011 Å
• α: 73.704 ± 0.003°
• β: 86.924 ± 0.003°
• γ: 70.205 ± 0.003°
• Cell volume: 1054.73 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No