Information card for entry 4078552

Structure parameters

• Formula: C45 H47 N3 P
• Calculated formula: C45 H47 N3 P
• Title of publication: 4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes
• Authors of publication: Bates, Joshua I.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4529
• a: 30.427 ± 0.004 Å
• b: 14.9796 ± 0.0019 Å
• c: 18.825 ± 0.002 Å
• α: 90°
• β: 117.373 ± 0.005°
• γ: 90°
• Cell volume: 7619.4 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2112
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No