Information card for entry 4320654

Structure parameters

• Formula: C29 H26 B2 N2 O3
• Calculated formula: C29 H26 B2 N2 O3
• SMILES: O1[B]2(O[B]3(Oc4c(C=[N]3CCC[N]2=Cc2ccccc12)cccc4)c1ccccc1)c1ccccc1
• Title of publication: Preparation of Seven- and Eight-Membered Boron Heterocycles from Different Salen Ligands and Arylboronic Acids
• Authors of publication: Mario Sánchez; Herbert Höpfl; Maria-Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6405 - 6412
• a: 10.15 ± 0.003 Å
• b: 19.23 ± 0.005 Å
• c: 12.25 ± 0.003 Å
• α: 90°
• β: 95.6 ± 0.013°
• γ: 90°
• Cell volume: 2379.6 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 3.7075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No