Information card for entry 7127146

Structure parameters

• Formula: C21 H30 Cl O P
• Calculated formula: C21 H30 Cl O P
• SMILES: P(=O)([C@H]1C[C@@H]1c1ccc(Cl)cc1)(C1CCCCC1)C1CCCCC1.P(=O)([C@@H]1C[C@H]1c1ccc(Cl)cc1)(C1CCCCC1)C1CCCCC1
• Title of publication: Phosphinative cyclopropanation of allyl phosphates with lithium phosphides.
• Authors of publication: Shintani, Ryo; Ohzono, Ayase; Shirota, Kentaro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 79
• Pages of publication: 11851 - 11854
• a: 5.7668 ± 0.0015 Å
• b: 11.743 ± 0.003 Å
• c: 28.998 ± 0.007 Å
• α: 95.169 ± 0.006°
• β: 90.067 ± 0.006°
• γ: 102.805 ± 0.007°
• Cell volume: 1906.7 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No