Information card for entry 7107589

Structure parameters

• Formula: C25 H26 B2 N2 O5
• Calculated formula: C25 H26 B2 N2 O5
• Title of publication: N-containing boronic esters as self-complementary building blocks for the assembly of 2D and 3D molecular networks
• Authors of publication: Jorge Cruz-Huerta; Domingo Salazar-Mendoza; Javier Hernandez-Paredes; Iran F. Hernandez Ahuactzi; Herbert Hopfl
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4241
• a: 19.946 ± 0.003 Å
• b: 9.9565 ± 0.0015 Å
• c: 13.585 ± 0.002 Å
• α: 90°
• β: 127.486 ± 0.002°
• γ: 90°
• Cell volume: 2140.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No