Information card for entry 7107208

Structure parameters

• Formula: C34 H46 B I N4
• Calculated formula: C34 H44 B I N4
• Title of publication: Cl-BODIPYs: a BODIPY class enabling facile B-substitution
• Authors of publication: Travis Lundrigan; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1003
• a: 10.9061 ± 0.0004 Å
• b: 14.504 ± 0.0005 Å
• c: 21.1718 ± 0.0007 Å
• α: 90°
• β: 100.216 ± 0.0019°
• γ: 90°
• Cell volume: 3295.9 ± 0.2 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 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 significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No