Information card for entry 7037944

Structure parameters

• Formula: C23 H32 Cl N P2
• Calculated formula: C23 H32 Cl N P2
• SMILES: [P+]1(P(c2ccccc2)c2ccccc2)(NC(C)C)C2CCCC1CCC2.[Cl-]
• Title of publication: Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.
• Authors of publication: Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2294 - 2307
• a: 16.8271 ± 0.0008 Å
• b: 8.513 ± 0.0004 Å
• c: 15.6725 ± 0.0008 Å
• α: 90°
• β: 100.569 ± 0.002°
• γ: 90°
• Cell volume: 2206.98 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No