Information card for entry 4033183

Structure parameters

• Formula: C28 H25 F3 N2 O2
• Calculated formula: C28 H25 F3 N2 O2
• SMILES: c1ccccc1C(c1c2cc(ccc2n(c1)C)OC)(C(F)(F)F)c1c2cc(ccc2n(c1)C)OC
• Title of publication: One-Pot Trifluoromethylative Functionalization of Amides: Synthesis of Trifluoromethylated Bis(indolyl)arylmethanes and Triarylmethanes.
• Authors of publication: Pandey, Vinay Kumar; Anbarasan, Pazhamalai
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12328 - 12336
• a: 10.094 ± 0.0003 Å
• b: 10.1679 ± 0.0003 Å
• c: 12.6813 ± 0.0003 Å
• α: 81.8483 ± 0.0013°
• β: 72.4104 ± 0.0012°
• γ: 71.5178 ± 0.0011°
• Cell volume: 1175.17 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No