Information card for entry 4023004

Structure parameters

• Formula: C28 H18 N3 P
• Calculated formula: C28 H18 N3 P
• Title of publication: A Re-Evaluation of the Electrophilic Substitution Reactions of the Ramirez Ylide
• Authors of publication: Lee J. Higham; Jimmy Muldoon; P. Gabriel Kelly; David M. Corr; Helge Müller-Bunz; Declan G. Gilheany
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8780 - 8785
• a: 24.875 ± 0.007 Å
• b: 12.734 ± 0.004 Å
• c: 15.011 ± 0.004 Å
• α: 90°
• β: 105.595 ± 0.005°
• γ: 90°
• Cell volume: 4580 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No