Information card for entry 7029322

Structure parameters

• Formula: C11 H20 B10 O2
• Calculated formula: C11 H20 B10 O2
• SMILES: O(C)c1ccc(cc1)C(=O)[C]1234[BH]567[BH]891[BH]1%10%11[BH]%1258[BH]586[BH]61%12[BH]1%125[BH]5%106[BH]3%12([C]2781C)[BH]49%115
• Title of publication: Cross-coupling reaction between arylboronic acids and carboranyl iodides catalyzed by graphene oxide (GO)-supported Pd(0) recyclable nanoparticles for the synthesis of carboranylaryl ketones.
• Authors of publication: Biying, Algin Oh; Vangala, Venu R.; Chen, Chia Sze; Stubs, Ludger Paul; Hosmane, Narayan S.; Yinghuai, Zhu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5014 - 5020
• a: 10.05 ± 0.002 Å
• b: 7.5783 ± 0.0015 Å
• c: 22.381 ± 0.006 Å
• α: 90°
• β: 110.4 ± 0.03°
• γ: 90°
• Cell volume: 1597.7 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No