Information card for entry 2210560

Structure parameters

• Chemical name: 1,8-Bis(dimethylethyleneguanidino)naphthalene
• Formula: C20 H26 N6
• Calculated formula: C20 H26 N6
• SMILES: c1(c2c(cccc2ccc1)/N=C/1N(C)CCN1C)/N=C1\N(C)CCN1C
• Title of publication: 1,8-Bis(dimethylethyleneguanidino)naphthalene
• Authors of publication: Kawahata, Masatoshi; Ishikawa, Tsutomu; Yamaguchi, Kentaro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4549 - o4550
• a: 8.4589 ± 0.0012 Å
• b: 36.168 ± 0.005 Å
• c: 17.943 ± 0.002 Å
• α: 90°
• β: 92.642 ± 0.002°
• γ: 90°
• Cell volume: 5483.7 ± 1.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.1253
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes