Information card for entry 4021750

Structure parameters

• Chemical name: 1,2-bis(hexoxy)-1,2-bis(2,6-dibromopyrid-4-yl)ethane
• Formula: C12 H16 Br2 N O
• Calculated formula: C12 H16 Br2 N O
• Title of publication: 6,6'-Dibromo-4,4'-di(hexoxymethyl)-2,2'- bipyridine: A New Solubilizing Building Block for Macromolecular and Supramolecular Applications
• Authors of publication: Chad M. Amb; Seth C. Rasmussen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4696 - 4699
• a: 12.524 ± 0.003 Å
• b: 8.4105 ± 0.0017 Å
• c: 14.315 ± 0.003 Å
• α: 90°
• β: 112.12 ± 0.03°
• γ: 90°
• Cell volume: 1396.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1279
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No