Information card for entry 4027124

Structure parameters

• Formula: C101 H138 B4 N8 O8
• Calculated formula: C101 H137 B4 N8 O8
• Title of publication: Use of F-BODIPYs as a Protection Strategy for Dipyrrins: Optimization of BF2Removal
• Authors of publication: Deborah A. Smithen; Alexander E. G. Baker; Matthew Offman; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3439 - 3453
• a: 12.8615 ± 0.0001 Å
• b: 19.9997 ± 0.0004 Å
• c: 20.5839 ± 0.0002 Å
• α: 83.399 ± 0.003°
• β: 76.527 ± 0.0019°
• γ: 89.713 ± 0.003°
• Cell volume: 5113.57 ± 0.13 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No