Information card for entry 7103103

Structure parameters

• Formula: C188 H208 F16 I8 N8 O11
• Calculated formula: C188 H208 F16 I8 N8 O11
• Title of publication: Spontaneous symmetry-breaking in halogen-bonded, bent-core liquid crystals: observation of a chemically driven Iso-N-N* phase sequence.
• Authors of publication: Präsang, Carsten; Whitwood, Adrian C; Bruce, Duncan W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 18
• Pages of publication: 2137 - 2139
• a: 9.217 ± 0.005 Å
• b: 14.835 ± 0.009 Å
• c: 32.431 ± 0.019 Å
• α: 89.206 ± 0.012°
• β: 82.332 ± 0.012°
• γ: 89.607 ± 0.012°
• Cell volume: 4394 ± 5 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: 0.1245
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No