Information card for entry 4121711

Structure parameters

• Formula: C18 H22 As P
• Calculated formula: C18 H22 As P
• SMILES: [As]1=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: 16.5 ± 0.004 Å
• b: 11.912 ± 0.003 Å
• c: 18.07 ± 0.005 Å
• α: 90°
• β: 113.803 ± 0.005°
• γ: 90°
• Cell volume: 3249.5 ± 1.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No