Information card for entry 1506059

Structure parameters

• Formula: C24 H23 Cl N3 P Pd
• Calculated formula: C24 H23 Cl N3 P Pd
• Title of publication: "Clickphine": a novel and highly versatile P,N ligand class via click chemistry.
• Authors of publication: Detz, Remko J.; Heras, Silvia Arévalo; de Gelder, R.; van Leeuwen, Piet W. N. M.; Hiemstra, Henk; Reek, Joost N. H.; van Maarseveen, Jan H.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 3227 - 3230
• a: 11.1254 ± 0.0006 Å
• b: 11.9304 ± 0.0009 Å
• c: 17.898 ± 0.0011 Å
• α: 82.322 ± 0.005°
• β: 82.065 ± 0.004°
• γ: 77.051 ± 0.005°
• Cell volume: 2280 ± 0.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No