Information card for entry 7112952

Structure parameters

• Formula: C36 H43 B Cl2 F2 N6 O4
• Calculated formula: C36 H43 B Cl2 F2 N6 O4
• Title of publication: First bodipy-DOTA derivatives as probes for bimodal imaging.
• Authors of publication: Bernhard, Claire; Goze, Christine; Rousselin, Yoann; Denat, Franck
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 8267 - 8269
• a: 9.5109 ± 0.0004 Å
• b: 12.5631 ± 0.0006 Å
• c: 16.3648 ± 0.0008 Å
• α: 101.572 ± 0.002°
• β: 103.112 ± 0.003°
• γ: 99.345 ± 0.003°
• Cell volume: 1820.86 ± 0.15 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No