Information card for entry 7119199

Structure parameters

• Formula: C27 H22 Cl8 N W
• Calculated formula: C27 H22 Cl8 N W
• SMILES: [W](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[N+](=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: One pot conversion of benzophenone imine into the relevant 2-aza-allenium.
• Authors of publication: Bortoluzzi, Marco; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 364 - 367
• a: 10.179 ± 0.013 Å
• b: 13.62 ± 0.02 Å
• c: 14.88 ± 0.03 Å
• α: 114.57 ± 0.03°
• β: 100.377 ± 0.016°
• γ: 101.214 ± 0.015°
• Cell volume: 1760 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.3078
• Residual factor for significantly intense reflections: 0.1915
• Weighted residual factors for significantly intense reflections: 0.4162
• Weighted residual factors for all reflections included in the refinement: 0.4749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No