Information card for entry 7235507

Structure parameters

• Formula: C58 H47 B2 F4 N6 O2
• Calculated formula: C58 H47 B2 F4 N6 O2
• Title of publication: BODIPY dyes functionalized with 2-(2-dimethylaminophenyl)ethanol moieties as selective OFF‒ON fluorescent chemodosimeters for the nerve agent mimics DCNP and DFP
• Authors of publication: Gotor, Raúl; Gaviña, Pablo; Ochando, Luis E.; Chulvi, Katherine; Lorente, Alejandro; Martínez-Máñez, Ramón; Costero, Ana M.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 31
• Pages of publication: 15975
• a: 15.7361 ± 0.0003 Å
• b: 16.6946 ± 0.0004 Å
• c: 20.2283 ± 0.0007 Å
• α: 90°
• β: 103.168 ± 0.003°
• γ: 90°
• Cell volume: 5174.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.133
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.3103
• Weighted residual factors for all reflections included in the refinement: 0.3511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No