Information card for entry 4066899

Structure parameters

• Formula: C19 H19 Cl N P
• Calculated formula: C19 H19 Cl N P
• SMILES: [Cl-].[P+](Nc1ccccc1)(C)(c1ccccc1)c1ccccc1
• Title of publication: Facile Synthesis of Bifunctional Ligands using LiCH2PPh2═NPh Obtained from [PhNH−PPh3+][Br−]
• Authors of publication: Cao, Thi-Phuong-Anh; Payet, Elina; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3991
• a: 9.362 ± 0.001 Å
• b: 10.198 ± 0.001 Å
• c: 18.283 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No