Information card for entry 4126839

Structure parameters

• Formula: C21 H20 As P
• Calculated formula: C21 H20 As P
• SMILES: [As]1(P(c2ccc3c4c(ccc1c24)CC3)C(C)C)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: 8.1289 ± 0.0017 Å
• b: 11.214 ± 0.002 Å
• c: 20.239 ± 0.005 Å
• α: 84.892 ± 0.011°
• β: 83.6167 ± 0.001°
• γ: 70.879 ± 0.008°
• Cell volume: 1729.6 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No