Information card for entry 4126843

Structure parameters

• Formula: C21 H20 P2
• Calculated formula: C21 H20 P2
• SMILES: P1(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: 9.249 ± 0.0015 Å
• b: 13.144 ± 0.003 Å
• c: 14.882 ± 0.002 Å
• α: 89.036 ± 0.011°
• β: 72.407 ± 0.008°
• γ: 87.425 ± 0.011°
• Cell volume: 1722.8 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No