Information card for entry 1502967

Structure parameters

• Formula: C14 H17 N O P
• Calculated formula: C14 H17 N O P
• SMILES: P(=O)(C(C)(C)C)c1n(ccc1)c1ccccc1
• Title of publication: Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.
• Authors of publication: Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2298 - 2301
• a: 9.0672 ± 0.0018 Å
• b: 21.933 ± 0.004 Å
• c: 7.2346 ± 0.0014 Å
• α: 90°
• β: 110.83 ± 0.03°
• γ: 90°
• Cell volume: 1344.7 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No