Information card for entry 7106700

Structure parameters

• Formula: C26 H34 Br2 F6 N4 O
• Calculated formula: C26 H34 Br2 F6 N4 O
• Title of publication: From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups
• Authors of publication: Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8542
• a: 13.4502 ± 0.0005 Å
• b: 6.6042 ± 0.0002 Å
• c: 15.5119 ± 0.0006 Å
• α: 90°
• β: 90.28 ± 0.003°
• γ: 90°
• Cell volume: 1377.87 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No