Information card for entry 1516746

Structure parameters

• Formula: C24 H18 B N O3
• Calculated formula: C24 H18 B N O3
• SMILES: O1c2c(cccc2)C2c3c(O[B]1(Oc1c2cccc1)[n]1ccccc1)cccc3
• Title of publication: Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity.
• Authors of publication: Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 761 - 764
• a: 14.8638 ± 0.0006 Å
• b: 15.4624 ± 0.0006 Å
• c: 16.3768 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3763.9 ± 0.3 ų
• Cell temperature: 277.2 K
• Number of distinct elements: 5
• 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: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No