Information card for entry 2235535

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2- (<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidino)ethyl]guanidine
• Formula: C12 H28 N6
• Calculated formula: C12 H28 N6
• SMILES: CN(C(=NCCN=C(N(C)C)N(C)C)N(C)C)C
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidino)ethyl]guanidine
• Authors of publication: Tiritiris, Ioannis; Kantlehner, Willi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2161
• a: 8.4189 ± 0.0006 Å
• b: 8.5894 ± 0.0006 Å
• c: 11.0089 ± 0.0008 Å
• α: 90°
• β: 106.858 ± 0.005°
• γ: 90°
• Cell volume: 761.88 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes