Information card for entry 1576940

Structure parameters

• Formula: C49 H69 N2 O S Si3 V
• Calculated formula: C49 H69 N2 O S Si3 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: 11.3327 ± 0.0001 Å
• b: 13.7549 ± 0.0003 Å
• c: 16.4917 ± 0.0003 Å
• α: 79.778 ± 0.002°
• β: 77.417 ± 0.001°
• γ: 80.974 ± 0.001°
• Cell volume: 2450.38 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No