Information card for entry 7036647

Structure parameters

• Formula: C33 H50 Cl N3 P2
• Calculated formula: C33 H50 Cl N3 P2
• SMILES: P(P(N(C(C)C)C(C)C)Cl)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.
• Authors of publication: Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2044 - 2052
• a: 10.4571 ± 0.0002 Å
• b: 10.8862 ± 0.0002 Å
• c: 16.6912 ± 0.0003 Å
• α: 83.6921 ± 0.0008°
• β: 82.8084 ± 0.0008°
• γ: 62.1884 ± 0.0008°
• Cell volume: 1664.52 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0592
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No