Information card for entry 4076701

Structure parameters

• Formula: C19 H31 Cl3 Ga P
• Calculated formula: C19 H30.315 Cl3 Ga P
• Title of publication: Reactions of Electrophiles with the Phosphaalkene Mes*PCH2: Mechanistic Studies of a Catalytic Intramolecular C−H Bond Activation Reaction
• Authors of publication: Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1008
• a: 10.0454 ± 0.0006 Å
• b: 11.024 ± 0.0007 Å
• c: 11.141 ± 0.0009 Å
• α: 94.935 ± 0.004°
• β: 112.222 ± 0.003°
• γ: 94.093 ± 0.002°
• Cell volume: 1130.64 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No