Information card for entry 1555690

Structure parameters

• Formula: C27 H24 F N O2
• Calculated formula: C27 H24 F N O2
• SMILES: Fc1ccc(cc1)c1oc(c(c1C(=O)NC(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Substituted Furan/Pyrrole-3-carboxamides through a Tandem Nucleopalladation and Isocyanate Insertion.
• Authors of publication: Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4332 - 4335
• a: 9.672 ± 0.004 Å
• b: 25.53 ± 0.009 Å
• c: 9.182 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No