Information card for entry 1576943

Structure parameters

• Formula: C47 H55 N2 O3 Si2 V
• Calculated formula: C47 H55 N2 O3 Si2 V
• Title of publication: Toward vanadium-mediated alkyne metathesis
• Authors of publication: Hernandez, Shirley; Krivovicheva, Vasilisa; Sousa-Silva, Adenilson; Solans-Monfort, Xavier; Bukhryakov, Konstantin V.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 21.1091 ± 0.001 Å
• b: 10.506 ± 0.0002 Å
• c: 36.0901 ± 0.0017 Å
• α: 90°
• β: 142.997 ± 0.01°
• γ: 90°
• Cell volume: 4817.1 ± 1.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No