Information card for entry 1504557

Structure parameters

• Formula: C27 H26 B N O3 Si
• Calculated formula: C27 H26 B N O3 Si
• SMILES: [Si]12(c3c(O[B](Oc4c1cccc4)(Oc1c2cccc1)[n]1ccccc1)cccc3)CC(C)C
• Title of publication: Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control.
• Authors of publication: Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 929 - 932
• a: 9.1369 ± 0.0003 Å
• b: 20.4629 ± 0.0005 Å
• c: 25.729 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4810.5 ± 0.2 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No