Information card for entry 7152052

Structure parameters

• Formula: C34.5 H36 B Cl F6 N4 O2.5
• Calculated formula: C34.5 H36 B Cl F6 N4 O2.5
• Title of publication: Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.
• Authors of publication: Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 7400 - 7410
• a: 21.3858 ± 0.0004 Å
• b: 11.0501 ± 0.0002 Å
• c: 30.9188 ± 0.0007 Å
• α: 90°
• β: 108.77 ± 0.001°
• γ: 90°
• Cell volume: 6918 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No