Information card for entry 1540516

Structure parameters

• Formula: C24 H18 B Cl3 F6 N2 O5
• Calculated formula: C24 H18 B Cl3 F6 N2 O5
• SMILES: ClC(Cl)Cl.FC(F)(F)c1cc(C(F)(F)F)cc(c1)[B]1(OC(=O)c2c(C(=O)O1)cccc2)[O]=n1ccc(N(C)C)cc1
• Title of publication: Boronic acid‒DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines
• Authors of publication: Ishihara, Kazuaki; Lu, Yanhui
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1276
• a: 10.3672 ± 0.0014 Å
• b: 15.451 ± 0.002 Å
• c: 17.504 ± 0.002 Å
• α: 84.827 ± 0.006°
• β: 78.441 ± 0.005°
• γ: 86.992 ± 0.006°
• Cell volume: 2734.1 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No