Information card for entry 4085650

Structure parameters

• Common name: compound 3
• Formula: C40 H52 Li2 O2 P2
• Calculated formula: C40 H52 Li2 O2 P2
• SMILES: [Li]1([O](CC)CC)[CH2](P(=C2c3c(c4c2cccc4)cccc3)(C)C)[Li]([O](CC)CC)[CH2]1(P(=C1c2c(c3c1cccc3)cccc2)(C)C)
• Title of publication: Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides
• Authors of publication: Schröder, Fabian G.; Sundermeyer, Jörg
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1017 - 1020
• a: 8.9171 ± 0.0006 Å
• b: 9.635 ± 0.0007 Å
• c: 10.9153 ± 0.0008 Å
• α: 95.22 ± 0.006°
• β: 103.669 ± 0.006°
• γ: 90.252 ± 0.006°
• Cell volume: 907.14 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4085589
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No