Information card for entry 2012139

Structure parameters

• Chemical name: N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide
• Formula: C10 H20 N2 O8
• Calculated formula: C10 H20 N2 O8
• SMILES: OCC(NC(=O)C(=O)NC(CO)(CO)CO)(CO)CO
• Title of publication: <i>N</i>,<i>N</i>'-Bis[tris(hydroxymethyl)methyl]ethanediamide: six O—H···O hydrogen bonds generate only a two-dimensional structure
• Authors of publication: Ross, Jennifer N.; Low, John N.; Fernandes, Christiane; Wardell, James L.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 949 - 951
• a: 21.4097 ± 0.0003 Å
• b: 6.1559 ± 0.0006 Å
• c: 10.0605 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1325.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes