Information card for entry 7155504

Structure parameters

• Formula: C24 H28 B Fe N O4
• Calculated formula: C24 H28 B Fe N O4
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]8(NC(=O)OCc2ccc(B3OC(C(O3)(C)C)(C)C)cc2)[cH]7[cH]6[cH]51
• Title of publication: Ratiometric electrochemical detection of hydrogen peroxide and glucose.
• Authors of publication: Goggins, Sean; Apsey, Ellen A.; Mahon, Mary F.; Frost, Christopher G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2459 - 2466
• a: 9.8839 ± 0.0004 Å
• b: 9.9233 ± 0.0004 Å
• c: 13.1134 ± 0.0005 Å
• α: 109.219 ± 0.004°
• β: 93.721 ± 0.003°
• γ: 115.017 ± 0.004°
• Cell volume: 1068.78 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0439
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No