Information card for entry 7016724

Structure parameters

• Formula: C18 H29 Cl N O2 P
• Calculated formula: C18 H29 Cl N O2 P
• SMILES: Cl[P@@]1(=O)O[C@]2(C=C(C=C(C2=N1)C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[P@]1(=O)O[C@@]2(C=C(C=C(C2=N1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Donor-stabilised cations, phosphinamide anions, and unusual oxidative cyclisation products from halogenated phosphoranimines and phosphinimines with a bulky 2,4,6-tri-tert-butylphenyl substituent at nitrogen.
• Authors of publication: Huynh, Keith; Chun, Cindy P.; Lough, Alan J.; Manners, Ian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10576 - 10584
• a: 9.1257 ± 0.0003 Å
• b: 13.9396 ± 0.0007 Å
• c: 15.6039 ± 0.0006 Å
• α: 90°
• β: 95.608 ± 0.003°
• γ: 90°
• Cell volume: 1975.45 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1084
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No