Information card for entry 4121710

Structure parameters

• Formula: C18 H22 As Cl2 P
• Calculated formula: C18 H22 As Cl2 P
• SMILES: [As]1(Cl)(Cl)=P(c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C
• Title of publication: Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.
• Authors of publication: Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6247 - 6250
• a: 11.556 ± 0.004 Å
• b: 11.052 ± 0.003 Å
• c: 14.829 ± 0.005 Å
• α: 90°
• β: 108.209 ± 0.006°
• γ: 90°
• Cell volume: 1799.1 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No