Information card for entry 4126844

Structure parameters

• Formula: C30 H32 As2 Cl3 P
• Calculated formula: C30 H32 As2 Cl3 P
• SMILES: [As]1([P+](c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C)c1ccccc1.[As](Cl)(Cl)(Cl)c1ccccc1
• Title of publication: Dealkanative Main Group Couplings Across the peri-Gap.
• Authors of publication: Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 14.745 ± 0.002 Å
• b: 7.8199 ± 0.0012 Å
• c: 25.564 ± 0.004 Å
• α: 90°
• β: 95.712 ± 0.003°
• γ: 90°
• Cell volume: 2933 ± 0.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0215
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No