Information card for entry 7033644

Structure parameters

• Formula: C43 H45 B2 F4 N4 O4
• Calculated formula: C43 H45 B2 F4 N4 O4
• Title of publication: meso-Salicylaldehyde substituted BODIPY as a chemodosimetric sensor for cyanide anions.
• Authors of publication: Dvivedi, Avanish; Rajakannu, Palanisamy; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4054 - 4062
• a: 11.954 ± 0.002 Å
• b: 11.402 ± 0.002 Å
• c: 29.319 ± 0.005 Å
• α: 90°
• β: 92.926 ± 0.003°
• γ: 90°
• Cell volume: 3991 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No