Information card for entry 1504555

Structure parameters

• Formula: C28 H25 B Cl6 O5 Si
• Calculated formula: C28 H25 B Cl6 O5 Si
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.[Si]12(c3c(O[B](Oc4c1cccc4)(Oc1c2cccc1)[O]=C1C=C(OC(=C1)C)C)cccc3)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: 12.7774 ± 0.0013 Å
• b: 18.6212 ± 0.0018 Å
• c: 14.6414 ± 0.0017 Å
• α: 90°
• β: 109.02 ± 0.003°
• γ: 90°
• Cell volume: 3293.4 ± 0.6 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No