Information card for entry 7105432

Structure parameters

• Formula: C23 H20 Cl O3 P
• Calculated formula: C23 H20 Cl O3 P
• SMILES: P(=O)([C@H](c1ccc(cc1)Cl)C(=C)C(=O)OC)(c1ccccc1)c1ccccc1
• Title of publication: Enantioselective construction of allylic phosphine oxides through substitution of Morita-Baylis-Hillman carbonates with phosphine oxides.
• Authors of publication: Hong, Liang; Sun, Wangsheng; Liu, Chunxia; Zhao, Depeng; Wang, Rui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2856 - 2858
• a: 5.7884 ± 0.0006 Å
• b: 19.672 ± 0.002 Å
• c: 9.4173 ± 0.0011 Å
• α: 90°
• β: 103.446 ± 0.006°
• γ: 90°
• Cell volume: 1042.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No