Information card for entry 7037697

Structure parameters

• Formula: C19 H18 B Cl2 F2 N3
• Calculated formula: C19 H18 B Cl2 F2 N3
• SMILES: ClCCN(c1ccc(C2=c3[n](ccc3)[B](F)(F)n3c2ccc3)cc1)CCCl
• Title of publication: Design and synthesis of BODIPY-clickate based Hg(2+) sensors: the effect of triazole binding mode with Hg(2+) on signal transduction.
• Authors of publication: Vedamalai, Mani; Kedaria, Dhaval; Vasita, Rajesh; Mori, Shigeki; Gupta, Iti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2700 - 2708
• a: 25.408 ± 0.009 Å
• b: 8.297 ± 0.003 Å
• c: 8.766 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1848 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No