Information card for entry 7057454

Structure parameters

• Formula: C21 H33 F6 N2 P
• Calculated formula: C21 H33 F6 N2 P
• 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: 8.3458 ± 0.0008 Å
• b: 10.7404 ± 0.0011 Å
• c: 26.252 ± 0.003 Å
• α: 79.541 ± 0.002°
• β: 87.329 ± 0.002°
• γ: 89.045 ± 0.002°
• Cell volume: 2311.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1358
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No