Information card for entry 1502970

Structure parameters

• Formula: C19 H24 Cl O3 P
• Calculated formula: C19 H24 Cl O3 P
• SMILES: P(Cl)(C(C)(C)C)c1ccccc1c1c(OC)cc(OC)cc1OC
• 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: 7.3352 ± 0.0015 Å
• b: 18.878 ± 0.004 Å
• c: 13.81 ± 0.003 Å
• α: 90°
• β: 93.06 ± 0.03°
• γ: 90°
• Cell volume: 1909.6 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No