Information card for entry 4023000

Structure parameters

• Formula: C48 H42 N2 O3 P2
• Calculated formula: C48 H42 N2 O3 P2
• 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: 9.1976 ± 0.0009 Å
• b: 9.2334 ± 0.0009 Å
• c: 11.9364 ± 0.0012 Å
• α: 105.374 ± 0.002°
• β: 90.475 ± 0.002°
• γ: 102.84 ± 0.002°
• Cell volume: 950.55 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No