Information card for entry 4312216

Structure parameters

• Formula: C25 H26 B3 N3 O6
• Calculated formula: C25 H26 B3 N3 O6
• SMILES: [B@]123[N](=Cc4c(O1)cccc4)CC[N]1[B@](Oc4c(C=1)cccc4)(O2)OB(O3)c1ccccc1.N(C=O)(C)C
• Title of publication: Preparation and Structural Characterization of Three Types of Homo- and Heterotrinuclear Boron Complexes: Salen{[B-O-B][O2BOH]}, Salen{[B-O-B][O2BPh]}, and Salen{[B-O-B][O2P(O)Ph]}
• Authors of publication: Gabriela Vargas; Irán Hernández; Herbert Höpfl; María-Eugenia Ochoa; Dolores Castillo; Norberto Farfán; Rosa Santillan; Elizabeth Gómez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8490 - 8500
• a: 9.9136 ± 0.0012 Å
• b: 10.1719 ± 0.0012 Å
• c: 23.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2375.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No