Information card for entry 7124365

Structure parameters

• Formula: C21 H30 K O6
• Calculated formula: C21 H31 K O6
• Title of publication: A K-Arylacetylide Complex for Catalytic Terminal Alkyne Functionalization using KOtBu as a Precatalyst
• Authors of publication: Mandal, Swadhin K.; Ahmed, Jasimuddin; Swain, Asim Kumar; Das, Arpan; Govindarajan, R.; Bhunia, Mrinal
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.105 ± 0.0002 Å
• b: 19.2881 ± 0.0006 Å
• c: 14.1234 ± 0.0004 Å
• α: 90°
• β: 92.977 ± 0.003°
• γ: 90°
• Cell volume: 2204.93 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No