Information card for entry 7057453

Structure parameters

• Formula: C22 H35 Br N2
• Calculated formula: C22 H35 Br N2
• Title of publication: Heterogeneous microwave-assisted Ullmann type methodology for synthesis of rigid-core ionic liquid crystals
• Authors of publication: Fouchet, Julien; Heinrich, Benoît; L’Her, Matthieu; Voirin, Emilie; Karmazin, Lydia; Bailly, Corinne; Welter, Richard; Mirjafari, Arsalan; Douce, Laurent
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 10421
• a: 20.4743 ± 0.001 Å
• b: 14.5386 ± 0.0006 Å
• c: 7.5277 ± 0.0004 Å
• α: 90°
• β: 100.385 ± 0.003°
• γ: 90°
• Cell volume: 2204.05 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1026
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No