Information card for entry 7119670

Structure parameters

• Formula: C36 H42 B2 N6 O4
• Calculated formula: C36 H42 B2 N6 O4
• SMILES: C1(C)(C)C(C)(C)OB(c2c(cccc2)Cn2cc(c3cc(ccc3)c3cn(Cc4c(cccc4)B4OC(C)(C)C(C)(C)O4)nn3)nn2)O1
• Title of publication: Glucose selective bis-boronic acid click-fluor.
• Authors of publication: Zhai, Wenlei; Male, Louise; Fossey, John S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 2218 - 2221
• a: 26.009 ± 0.0003 Å
• b: 6.56488 ± 0.00009 Å
• c: 20.4434 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3490.63 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No