Information card for entry 1556643

Structure parameters

• Formula: C34 H48 B2 Br P3
• Calculated formula: C34 H48 B2 Br P3
• SMILES: Br[B@@]1([B@@H]([P](Cc2c1cccc2)(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1)[P](C)(C)C.Br[B@]1([B@H]([P](Cc2c1cccc2)(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1)[P](C)(C)C
• 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: 10.5062 ± 0.0008 Å
• b: 17.5469 ± 0.0013 Å
• c: 36.649 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6756.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No