Information card for entry 4089016

Structure parameters

• Formula: C56 H94 B2
• Calculated formula: C56 H94 B2
• SMILES: c1(c2C(CC(c2cc2C(CC)(CC)CC(c12)(CC)CC)(CC)CC)(CC)CC)[BH]12[BH](c3c4C(CC(c4cc4C(CC(c34)(CC)CC)(CC)CC)(CC)CC)(CC)CC)([H]1)[H]2
• Title of publication: Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups
• Authors of publication: Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3397
• a: 12.4926 ± 0.0008 Å
• b: 18.6202 ± 0.0012 Å
• c: 23.2945 ± 0.0014 Å
• α: 104.261 ± 0.002°
• β: 94.6326 ± 0.0019°
• γ: 101.426 ± 0.0019°
• Cell volume: 5099.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No