Information card for entry 1576942

Structure parameters

• Formula: C47 H55 N2 O2 S Si2 V
• Calculated formula: C47 H55 N2 O2 S 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: 11.1289 ± 0.0011 Å
• b: 30.044 ± 0.003 Å
• c: 13.4314 ± 0.0014 Å
• α: 90°
• β: 99.874 ± 0.002°
• γ: 90°
• Cell volume: 4424.4 ± 0.8 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 7
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No