Information card for entry 4512603

Structure parameters

• Common name: [C1C12triaz]I3
• Formula: C15 H30 I3 N3 O0
• Calculated formula: C15 H30 I3 N3
• SMILES: CCCCCCCCCCCC[n+]1nn(cc1)C.[I-](I)I
• 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: 5.4494 ± 0.001 Å
• b: 7.0744 ± 0.001 Å
• c: 28.993 ± 0.005 Å
• α: 90.43 ± 0.02°
• β: 92.25 ± 0.02°
• γ: 82.93 ± 0.02°
• Cell volume: 1108.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.2906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No