Information card for entry 7051541

Structure parameters

• Common name: Triphenylphosphonium-ortho-methoxybenzylide
• Chemical name: Triphenylphosphonium-ortho-methoxybenzylide
• Formula: C26 H23 O P
• Calculated formula: C26 H23 O P
• SMILES: c1(ccccc1)P(c1ccccc1)(c1ccccc1)=Cc1ccccc1OC
• Title of publication: Synthesis and molecular structures of the first phosphoranylidene complexes of rare earth metals
• Authors of publication: Rufanov, Konstantin A.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 29
• a: 9.7457 ± 0.0018 Å
• b: 10.0458 ± 0.0018 Å
• c: 10.715 ± 0.002 Å
• α: 73.76 ± 0.02°
• β: 85.61 ± 0.02°
• γ: 89.94 ± 0.02°
• Cell volume: 1004 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No