Information card for entry 7703698

Structure parameters

• Formula: C25 H27 O P
• Calculated formula: C25 H27 O P
• SMILES: P(C(=O)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: The phosphinoboration of acyl chlorides.
• Authors of publication: Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5092 - 5099
• a: 8.317 ± 0.003 Å
• b: 11.854 ± 0.004 Å
• c: 11.878 ± 0.003 Å
• α: 99.213 ± 0.007°
• β: 105.491 ± 0.008°
• γ: 107.793 ± 0.007°
• Cell volume: 1036.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0939
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No