Information card for entry 7715124

Structure parameters

• Formula: C55 H71 N P2
• Calculated formula: C55 H71 N P2
• SMILES: P(Cc1cccc2cc3cccc(c3nc12)CP(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2
• 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: 13.3304 ± 0.0002 Å
• b: 15.2927 ± 0.0002 Å
• c: 21.3111 ± 0.0003 Å
• α: 90°
• β: 92.884 ± 0.001°
• γ: 90°
• Cell volume: 4338.93 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1107
• 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