Information card for entry 7129034

Structure parameters

• Common name: PB(HBNH)
• Formula: C24 H42 B2 N P
• Calculated formula: C24 H42 B2 N P
• SMILES: [P]1(c2c(cccc2)[B]([NH]=[BH]1)(C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C
• Title of publication: Access to adducts of parent iminoborane isomers, HBNH and NBH₂, using frustrated Lewis pair chelation.
• Authors of publication: Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 83
• Pages of publication: 10895 - 10898
• a: 11.1624 ± 0.0004 Å
• b: 9.3546 ± 0.0003 Å
• c: 23.6269 ± 0.0008 Å
• α: 90°
• β: 99.5776 ± 0.0019°
• γ: 90°
• Cell volume: 2432.73 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No