Information card for entry 1504554

Structure parameters

• Formula: C27 H22 B Cl3 O5
• Calculated formula: C27 H22 B Cl3 O5
• SMILES: ClC(Cl)Cl.O1c2c(cccc2)C2c3c(O[B]1(Oc1c2cccc1)[O]=C1C=C(OC(=C1)C)C)cccc3
• 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: 8.8892 ± 0.0012 Å
• b: 9.3224 ± 0.0013 Å
• c: 16.548 ± 0.002 Å
• α: 75.822 ± 0.004°
• β: 83.017 ± 0.004°
• γ: 73.858 ± 0.003°
• Cell volume: 1275 ± 0.3 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No