Information card for entry 1556644

Structure parameters

• Formula: C34 H48 B2 Br P3
• Calculated formula: C34 H48 B2 Br P3
• SMILES: Br[B@]1(P(c2ccccc2)c2ccccc2)c2ccccc2C[P]([B@@H]1[P](C)(C)C)(C1CCCCC1)C1CCCCC1.Br[B@@]1(P(c2ccccc2)c2ccccc2)c2ccccc2C[P]([B@H]1[P](C)(C)C)(C1CCCCC1)C1CCCCC1
• Title of publication: Hydrophosphination of boron‒boron multiple bonds
• Authors of publication: Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1335 - 1341
• a: 11.8091 ± 0.0005 Å
• b: 16.5734 ± 0.0007 Å
• c: 17.4767 ± 0.0008 Å
• α: 90°
• β: 107.828 ± 0.002°
• γ: 90°
• Cell volume: 3256.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No