Information card for entry 4312215

Structure parameters

• Formula: C19 H21 B3 N2 O7
• Calculated formula: C19 H21 B3 N2 O7
• SMILES: [B]123[N](=Cc4c(O1)cccc4)CC[N]1[B](Oc4c(C=1)cccc4)(O2)OB(O3)O.O=C(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: 25.148 ± 0.003 Å
• b: 12.0052 ± 0.0016 Å
• c: 13.5464 ± 0.0019 Å
• α: 90°
• β: 99.232 ± 0.003°
• γ: 90°
• Cell volume: 4036.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1265
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No