Information card for entry 4028390

Structure parameters

• Formula: C23 H17 O P
• Calculated formula: C23 H17 O P
• Title of publication: Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes
• Authors of publication: Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6522 - 6528
• a: 7.9797 ± 0.0003 Å
• b: 10.5497 ± 0.0003 Å
• c: 20.7707 ± 0.0007 Å
• α: 100.503 ± 0.002°
• β: 91.237 ± 0.002°
• γ: 90.268 ± 0.002°
• Cell volume: 1718.79 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No