Information card for entry 7057456

Structure parameters

• Formula: C33 H57 Br N2 O
• Calculated formula: C33 H57 Br N2 O
• 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: 28.2048 ± 0.0007 Å
• b: 14.7269 ± 0.0004 Å
• c: 7.943 ± 0.0002 Å
• α: 90°
• β: 91.506 ± 0.002°
• γ: 90°
• Cell volume: 3298.14 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No