Information card for entry 7124366

Structure parameters

• Formula: C32 H57 K2 N4 O12
• Calculated formula: C32 H57 K2 N4 O12
• 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: 21.5229 ± 0.0014 Å
• b: 8.6696 ± 0.0003 Å
• c: 21.8344 ± 0.0019 Å
• α: 90°
• β: 105.419 ± 0.008°
• γ: 90°
• Cell volume: 3927.5 ± 0.5 ų
• Cell temperature: 99.73 ± 0.16 K
• Ambient diffraction temperature: 99.73 ± 0.16 K
• Number of distinct elements: 5
• 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: 0.1169
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2896
• Weighted residual factors for all reflections included in the refinement: 0.3165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No