Information card for entry 7002762

Structure parameters

• Formula: C45 H75 Li N O4 P
• Calculated formula: C45 H75 Li N O4 P
• SMILES: P(c1c(cccc1C(C)C)C(C)C)=C([N-]c1c(cccc1C(C)C)C(C)C)C(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Azaphosphaallyl anion lithium [ArNC(But)PAr]−Li+(THF)4 and its monomeric potassium and thallium complexes (Ar = 2, 6-iPr2C6H3)
• Authors of publication: Li, Xiaofei; Song, Haibin; Cui, Chunming
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9728 - 9730
• a: 14.626 ± 0.007 Å
• b: 18.619 ± 0.008 Å
• c: 16.409 ± 0.007 Å
• α: 90°
• β: 91.021 ± 0.006°
• γ: 90°
• Cell volume: 4468 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No