Information card for entry 2237812

Structure parameters

• Chemical name: Dimethyl 2-aminobiphenyl-4,4'-dicarboxylate
• Formula: C16 H15 N O4
• Calculated formula: C16 H15 N O4
• SMILES: COC(=O)c1ccc(cc1)c1ccc(cc1N)C(=O)OC
• Title of publication: Dimethyl 2-aminobiphenyl-4,4'-dicarboxylate
• Authors of publication: Lehane, Ryan L.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o797
• a: 12.955 ± 0.003 Å
• b: 7.346 ± 0.0016 Å
• c: 14.422 ± 0.003 Å
• α: 90°
• β: 103.263 ± 0.01°
• γ: 90°
• Cell volume: 1335.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes