Information card for entry 4512605

Structure parameters

• Common name: [C1C12triaz]I
• Formula: C15 H30 I N3
• Calculated formula: C15 H30 I N3
• Title of publication: Influence of the Counteranion on the Ability of 1-Dodecyl-3-methyltriazolium Ionic Liquids to Form Mesophases
• Authors of publication: Stappert, Kathrin; Ünal, Derya; Spielberg, Eike T.; Mudring, Anja-Verena
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 752
• a: 5.6056 ± 0.0006 Å
• b: 8.907 ± 0.001 Å
• c: 19.523 ± 0.003 Å
• α: 79.8 ± 0.02°
• β: 83.5 ± 0.02°
• γ: 81.78 ± 0.02°
• Cell volume: 945.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No