Information card for entry 1502969

Structure parameters

• Formula: C18 H22 Cl O2 P
• Calculated formula: C18 H22 Cl O2 P
• SMILES: C(C)(C)(C)P(c1ccccc1c1c(cccc1OC)OC)Cl
• 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: 9.1373 ± 0.0018 Å
• b: 14.932 ± 0.003 Å
• c: 12.95 ± 0.003 Å
• α: 90°
• β: 102.16 ± 0.03°
• γ: 90°
• Cell volume: 1727.2 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No