Information card for entry 7107588

Structure parameters

• Formula: C23 H20 B2 N2 O4
• Calculated formula: C23 H20 B2 N2 O4
• 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: 19.867 ± 0.003 Å
• b: 9.9419 ± 0.0013 Å
• c: 13.4309 ± 0.0017 Å
• α: 90°
• β: 127.844 ± 0.002°
• γ: 90°
• Cell volume: 2094.9 ± 0.5 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: 0.1215
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No