Information card for entry 7132696

Structure parameters

• Formula: C29 H21 O2 P
• Calculated formula: C29 H21 O2 P
• 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: 9.475 ± 0.0002 Å
• b: 18.8265 ± 0.0003 Å
• c: 12.489 ± 0.0002 Å
• α: 90°
• β: 109.249 ± 0.002°
• γ: 90°
• Cell volume: 2103.26 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No