Information card for entry 7032150

Structure parameters

• Formula: C26 H29 B N P
• Calculated formula: C26 H29 B N P
• SMILES: C12CCCC(CCC1)B2N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Phosphinimine-substituted boranes and borenium ions.
• Authors of publication: Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15201 - 15211
• a: 8.7677 ± 0.001 Å
• b: 10.9331 ± 0.0014 Å
• c: 12.2994 ± 0.0016 Å
• α: 65.52 ± 0.006°
• β: 89.735 ± 0.006°
• γ: 87.405 ± 0.006°
• Cell volume: 1071.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No