Information card for entry 2012144

Structure parameters

• Chemical name: N,N'-Bis(methoxycarbonylmethyl)oxalamide
• Formula: C8 H12 N2 O6
• Calculated formula: C8 H12 N2 O6
• SMILES: COC(=O)CNC(=O)C(=O)NCC(=O)OC
• Title of publication: Dimethyl <i>N</i>,<i>N</i>'-oxalamidodiethanoate
• Authors of publication: Armelin, Elaine; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 932 - 933
• a: 10.4122 ± 0.0011 Å
• b: 4.7567 ± 0.0008 Å
• c: 11.6778 ± 0.0016 Å
• α: 90°
• β: 108.168 ± 0.01°
• γ: 90°
• Cell volume: 549.54 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes