Information card for entry 4336191

Structure parameters

• Formula: C25 H19 B F2 N4 O2
• Calculated formula: C25 H19 B F2 N4 O2
• SMILES: [B]1(F)(F)[n]2c(C(=O)OC)ccc2=C(c2n1c(cc2)c1nc2c([nH]1)cccc2)c1ccc(C)cc1
• Title of publication: Sensing Hg(II)in Vitro and in Vivo Using a Benzimidazole Substituted BODIPY
• Authors of publication: Sheri Madhu; Dharmendar Kumar Sharma; Santanu Kumar Basu; Sameer Jadhav; Arindam Chowdhury; Mangalampalli Ravikanth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11136 - 11145
• a: 8.9416 ± 0.0013 Å
• b: 10.9173 ± 0.0014 Å
• c: 12.055 ± 0.0014 Å
• α: 66.61 ± 0.012°
• β: 84.216 ± 0.01°
• γ: 89.727 ± 0.011°
• Cell volume: 1073.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No