Information card for entry 1573415

Structure parameters

• Formula: C14 H16 N4 O4 W
• Calculated formula: C14 H16 N4 O4 W
• SMILES: C(#[O])[W](C#[O])(=C1N(C=CN1C)C)(C#[O])(C#[O])=C1N(C=CN1C)C
• Title of publication: Tungsten-catalyzed stereodivergent isomerization of terminal olefins.
• Authors of publication: Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 2307 - 2315
• a: 8.6484 ± 0.0007 Å
• b: 14.2399 ± 0.0012 Å
• c: 13.3208 ± 0.0015 Å
• α: 90°
• β: 97.498 ± 0.001°
• γ: 90°
• Cell volume: 1626.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No