Information card for entry 1556646

Structure parameters

• Formula: C58 H71 B2 N4 P
• Calculated formula: C58 H71 B2 N4 P
• SMILES: [B](=[BH]=C1N(CCN1c1c(cccc1CC)CC)c1c(cccc1CC)CC)(P(c1ccccc1)c1ccccc1)=C1N(CCN1c1c(cccc1CC)CC)c1c(cccc1CC)CC
• 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: 11.3635 ± 0.0004 Å
• b: 13.09 ± 0.0005 Å
• c: 19.2394 ± 0.0006 Å
• α: 89.968 ± 0.001°
• β: 76.353 ± 0.001°
• γ: 70.181 ± 0.001°
• Cell volume: 2606.41 ± 0.16 ų
• Cell temperature: 107 ± 2 K
• Ambient diffraction temperature: 107 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No