Information card for entry 7036646

Structure parameters

• Formula: C33 H41 Cl N2 P2
• Calculated formula: C33 H41 Cl N2 P2
• SMILES: P(Cl)(P=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)c1ccccc1
• 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: 10.0682 ± 0.0003 Å
• b: 12.4824 ± 0.0003 Å
• c: 24.4361 ± 0.0006 Å
• α: 90°
• β: 93.057 ± 0.001°
• γ: 90°
• Cell volume: 3066.64 ± 0.14 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 K
• Number of distinct elements: 5
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No