Information card for entry 7132694

Structure parameters

• Formula: C78 H102 O2 P2 Si2
• Calculated formula: C78 H102 O2 P2 Si2
• Title of publication: Pd-catalysed C-H alkynylation of benzophospholes.
• Authors of publication: Tokura, Yu; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 20
• Pages of publication: 2792 - 2795
• a: 14.1352 ± 0.0004 Å
• b: 15.4491 ± 0.0005 Å
• c: 19.4502 ± 0.0006 Å
• α: 85.75 ± 0.002°
• β: 69.641 ± 0.002°
• γ: 64.337 ± 0.003°
• Cell volume: 3574.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1073
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2915
• Weighted residual factors for all reflections included in the refinement: 0.3
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No