Information card for entry 1504759

Structure parameters

• Formula: C22 H19 O2 P
• Calculated formula: C22 H19 O2 P
• SMILES: c1(ccccc1)P(=O)(C[C@H]1Cc2c(C1=O)cccc2)c1ccccc1
• Title of publication: Catalytic asymmetric stetter reaction onto vinylphosphine oxides and vinylphosphonates.
• Authors of publication: Cullen, Steven C.; Rovis, Tomislav
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3141 - 3144
• a: 9.3998 ± 0.0013 Å
• b: 9.9414 ± 0.0013 Å
• c: 11.4269 ± 0.0015 Å
• α: 65.82 ± 0.002°
• β: 74.446 ± 0.002°
• γ: 71.54 ± 0.002°
• Cell volume: 912.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No