Information card for entry 1556642

Structure parameters

• Formula: C50 H67 B2 P3
• Calculated formula: C50 H67 B2 P3
• SMILES: [B@@]12([B@@H]([P](Cc3c2cccc3)(C2CCCCC2)C2CCCCC2)c2ccccc2C[P]1(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[B@]12([B@H]([P](Cc3c2cccc3)(C2CCCCC2)C2CCCCC2)c2ccccc2C[P]1(C1CCCCC1)C1CCCCC1)P(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: 10.6022 ± 0.0005 Å
• b: 10.6218 ± 0.0005 Å
• c: 20.1023 ± 0.001 Å
• α: 94.418 ± 0.002°
• β: 99.288 ± 0.002°
• γ: 100.371 ± 0.002°
• Cell volume: 2184.47 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No