Information card for entry 7105609

Structure parameters

• Formula: C8 H10 N10
• Calculated formula: C8 H10 N10
• SMILES: n1(c[n+](cc1)CCc1[nH]nnn1)Cc1[n-]nnn1
• Title of publication: A general design platform for ionic liquid ions based on bridged multi-heterocycles with flexible symmetry and charge
• Authors of publication: Drab, David M.; Shamshina, Julia L.; Smiglak, Marcin; Hines, C. Corey; Cordes, David B.; Rogers, Robin D.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3544
• a: 6.1144 ± 0.0009 Å
• b: 25.233 ± 0.004 Å
• c: 7.1186 ± 0.0011 Å
• α: 90°
• β: 104.739 ± 0.002°
• γ: 90°
• Cell volume: 1062.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0342
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No