Information card for entry 7051774

Structure parameters

• Formula: C24 H27 Br F2 N O
• Calculated formula: C24 H27 Br F2 N O
• Title of publication: Mesogenic, trimeric, halogen-bonded complexes from alkoxystilbazoles and 1,4-diiodotetrafluorobenzene
• Authors of publication: Bruce, Duncan W.; Metrangolo, Pierangelo; Meyer, Franck; Präsang, Carsten; Resnati, Giuseppe; Terraneo, Giancarlo; Whitwood, Adrian C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 477
• a: 7.6549 ± 0.0007 Å
• b: 12.1014 ± 0.0012 Å
• c: 13.0598 ± 0.0013 Å
• α: 109.606 ± 0.002°
• β: 92.273 ± 0.002°
• γ: 107.571 ± 0.002°
• Cell volume: 1073.01 ± 0.18 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: 0.0346
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No