Information card for entry 7029756

Structure parameters

• Formula: C24 H31 B2 N4 O3 Sb
• Calculated formula: C24 H31 B2 N4 O3 Sb
• SMILES: [Sb]1(OB(OB(O1)c1cccc(N)c1)c1cc(ccc1)N)c1c(cccc1CN(C)C)CN(C)C
• Title of publication: Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.
• Authors of publication: Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7096 - 7108
• a: 18.584 ± 0.0016 Å
• b: 12.1241 ± 0.0018 Å
• c: 22.384 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5043.4 ± 0.9 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No