Information card for entry 4023002

Structure parameters

• Formula: C25 H19 O2 P
• Calculated formula: C25 H19 O2 P
• SMILES: P(=C1C=C(C=O)C(=C1)C=O)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.8445 ± 0.0009 Å
• b: 9.9154 ± 0.0009 Å
• c: 10.6813 ± 0.0009 Å
• α: 106.488 ± 0.002°
• β: 101.268 ± 0.002°
• γ: 98.87 ± 0.002°
• Cell volume: 955.8 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No