Information card for entry 7020777

Structure parameters

• Formula: C32 H51 P S
• Calculated formula: C32 H51 P S
• SMILES: S=P(c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1)C(C)(C)C)C(C)(C)C
• Title of publication: Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.
• Authors of publication: Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1437 - 1450
• a: 9.398 ± 0.005 Å
• b: 12.868 ± 0.007 Å
• c: 14.381 ± 0.007 Å
• α: 108.86 ± 0.007°
• β: 100.484 ± 0.009°
• γ: 105.905 ± 0.008°
• Cell volume: 1511.2 ± 1.4 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 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 significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No