Information card for entry 2011752

Structure parameters

• Chemical name: Bis(Methylglycyl)terephthalamide
• Formula: C14 H16 N2 O6
• Calculated formula: C14 H16 N2 O6
• SMILES: COC(=O)CNC(=O)c1ccc(cc1)C(=O)NCC(=O)OC
• Title of publication: <i>N</i>,<i>N</i>'-Bis(methoxycarbonylmethyl)terephthalamide
• Authors of publication: Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 172 - 173
• a: 8.9889 ± 0.001 Å
• b: 4.977 ± 0.002 Å
• c: 16.79 ± 0.004 Å
• α: 90°
• β: 90.9 ± 0.01°
• γ: 90°
• Cell volume: 751.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.491
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes