Information card for entry 7101322

Structure parameters

• Formula: C23 H27 F4 I N O
• Calculated formula: C23 H27 F4 I N O
• Title of publication: Fluorinated liquid crystals formed by halogen bonding
• Authors of publication: Duncan Bruce; Rosalba Liantonio; Pierangelo Metrangolo; Carsten Prasang; Giuseppe Resnati; Adrian C. Whitwood
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 31
• a: 7.8806 ± 0.0008 Å
• b: 11.9639 ± 0.0012 Å
• c: 12.687 ± 0.0012 Å
• α: 71.955 ± 0.002°
• β: 83.598 ± 0.002°
• γ: 89.641 ± 0.002°
• Cell volume: 1129.73 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No