Information card for entry 7715125

Structure parameters

• Formula: C39 H55 N P2
• Calculated formula: C39 H55 N P2
• SMILES: P(Cc1cccc2cc3cccc(c3nc12)CP(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.
• Authors of publication: Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4471 - 4478
• a: 11.5689 ± 0.0002 Å
• b: 17.0435 ± 0.0003 Å
• c: 16.8894 ± 0.0002 Å
• α: 90°
• β: 92.116 ± 0.001°
• γ: 90°
• Cell volume: 3327.89 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No