Information card for entry 4121117

Structure parameters

• Formula: C23 H20 O3.5 P
• Calculated formula: C23 H20 O3.5 P
• Title of publication: Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides
• Authors of publication: Yun-Rong Chen; Wei-Liang Duan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16754 - 16757
• a: 12.6037 ± 0.0011 Å
• b: 10.2402 ± 0.0009 Å
• c: 15.9169 ± 0.0014 Å
• α: 90°
• β: 106.107 ± 0.002°
• γ: 90°
• Cell volume: 1973.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No