Information card for entry 4078414

Structure parameters

• Common name: compound 5a
• Formula: C22 H25 P
• Calculated formula: C22 H25 P
• SMILES: C1(C(=C(C(=C1C)C)C)C)=P(C)(c1ccccc1)c1ccccc1
• Title of publication: New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites
• Authors of publication: Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4259
• a: 16.5418 ± 0.0014 Å
• b: 11.0451 ± 0.0007 Å
• c: 19.3782 ± 0.0015 Å
• α: 90°
• β: 93.232 ± 0.007°
• γ: 90°
• Cell volume: 3534.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0421
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.708
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No