Information card for entry 7112596

Structure parameters

• Formula: C27 H31 B F2 N2 O2
• Calculated formula: C27 H31 B F2 N2 O2
• Title of publication: Axially chiral BODIPYs
• Authors of publication: Reinner I. Lerrick; Thomas P. L. Winstanley; Karen Haggerty; Corinne Wills; William Clegg; Ross W. Harrington; Patrick Bultinck; Wouter Herrebout; Andrew C. Benniston; Michael J. Hall
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4714
• a: 7.712 ± 0.005 Å
• b: 25.125 ± 0.015 Å
• c: 12.348 ± 0.007 Å
• α: 90°
• β: 92.318 ± 0.007°
• γ: 90°
• Cell volume: 2391 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1055
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Duplicate of: 7112284
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No