Information card for entry 4125828

Structure parameters

• Formula: C28 H30 B2
• Calculated formula: C28 H30 B2
• SMILES: [B]12([H][B]1(c1c(cccc1)C)(c1c(cccc1)C)[H]2)(c1c(cccc1)C)c1c(cccc1)C
• Title of publication: Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).
• Authors of publication: Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 7
• Pages of publication: 2593 - 2596
• a: 40.6 ± 0.02 Å
• b: 6.991 ± 0.002 Å
• c: 17.968 ± 0.007 Å
• α: 90°
• β: 115.905 ± 0.004°
• γ: 90°
• Cell volume: 4587 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2519
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No