Information card for entry 2010182

Structure parameters

• Formula: C12 H24 N2 O4
• Calculated formula: C12 H24 N2 O4
• SMILES: COC(=O)NC(CCC(NC(=O)OC)(C)C)(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(methoxycarbonyl)-2,5-dimethylhexane-2,5-diamine
• Authors of publication: Wong, W.-T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1796 - 1798
• a: 9.265 ± 0.001 Å
• b: 9.354 ± 0.001 Å
• c: 17.399 ± 0.002 Å
• α: 90°
• β: 94.39 ± 0.01°
• γ: 90°
• Cell volume: 1503.5 ± 0.3 ų
• 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 significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No