Information card for entry 2209829

Structure parameters

• Common name: <i>N,N'</i>-1,2-Phenylenebis(<i>N,N,N',N'</i>- tetramethyl)guanidine
• Formula: C16 H28 N6
• Calculated formula: C16 H28 N6
• SMILES: c1(c(cccc1)N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C
• Title of publication: 2,2'-<i>o</i>-Phenylenebis(1,3-dimethylguanidine)
• Authors of publication: Kawahata, Masatoshi; Yamaguchi, Kentaro; Ito, Tomoya; Ishikawa, Tsutomu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3301 - o3302
• a: 7.6337 ± 0.0012 Å
• b: 8.58 ± 0.0013 Å
• c: 27.199 ± 0.004 Å
• α: 90°
• β: 97 ± 0.002°
• γ: 90°
• Cell volume: 1768.2 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes