Information card for entry 2210926

Structure parameters

• Chemical name: Ethyl 3-amino-6-phenyl 4-tolylfuro[2,3-b]pyridine-2-carboxylate
• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 N2 O3
• SMILES: n1c2oc(c(N)c2c(cc1c1ccccc1)c1ccc(cc1)C)C(=O)OCC
• Title of publication: Ethyl 3-amino-6-phenyl-4-tolylfuro[2,3-<i>b</i>]pyridine-2-carboxylate
• Authors of publication: Jotani, Mukesh M.; Patel, Urmila H.; Shah, Hetal C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4906 - o4908
• a: 7.752 ± 0.005 Å
• b: 21.259 ± 0.005 Å
• c: 23.011 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3792 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes