Information card for entry 7037698

Structure parameters

• Formula: C19 H18 B F2 N9
• Calculated formula: C19 H18 B F2 N9
• SMILES: F[B]1(F)[n]2cccc2=C(c2n1ccc2)c1ccc(N(CCN=N#N)CCN=N#N)cc1
• 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: 12.295 ± 0.006 Å
• b: 20.765 ± 0.01 Å
• c: 7.858 ± 0.004 Å
• α: 90°
• β: 100.122 ± 0.009°
• γ: 90°
• Cell volume: 1975 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No