Information card for entry 7703695

Structure parameters

• Formula: C39 H39 B O3 P2
• Calculated formula: C39 H39 B O3 P2
• SMILES: P(c1ccccc1)(c1ccccc1)C(c1ccccc1)/C=C(P(c1ccccc1)c1ccccc1)\OB1OC(C)(C)C(O1)(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: 12.1297 ± 0.0006 Å
• b: 12.7797 ± 0.0005 Å
• c: 24.5958 ± 0.0011 Å
• α: 100.177 ± 0.003°
• β: 90.169 ± 0.004°
• γ: 111.086 ± 0.003°
• Cell volume: 3492.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No