Information card for entry 7020776

Structure parameters

• Formula: C36 H57 O P
• Calculated formula: C36 H57 O P
• SMILES: [P@@]1(=O)(c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)c2c(cc(cc2C(C)(C)C1)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: 9.005 ± 0.003 Å
• b: 11.305 ± 0.004 Å
• c: 32.513 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3310 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.4747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No