Information card for entry 4121713

Structure parameters

• Formula: C60 H80 As3 O7 P3
• Calculated formula: C60 H72 As3 O7 P3
• SMILES: [As]1([As]([As]1c1ccc2c3c(ccc(P(=O)(C(C)C)C(C)C)c13)CC2)c1ccc2c3c(ccc(P(=O)(C(C)C)C(C)C)c13)CC2)c1ccc2c3c(ccc(P(=O)(C(C)C)C(C)C)c13)CC2.O.O.O.O.c1ccccc1
• 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: 14.244 ± 0.002 Å
• b: 14.7481 ± 0.0019 Å
• c: 16.041 ± 0.002 Å
• α: 82.916 ± 0.006°
• β: 73.841 ± 0.005°
• γ: 64.684 ± 0.005°
• Cell volume: 2925.8 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No