Information card for entry 4078551

Structure parameters

• Formula: C46 H48 N2 P
• Calculated formula: C46 H48 N2 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: 30.592 ± 0.0015 Å
• b: 15.388 ± 0.0009 Å
• c: 18.693 ± 0.0011 Å
• α: 90°
• β: 117.843 ± 0.002°
• γ: 90°
• Cell volume: 7781 ± 0.8 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: 0.1075
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No