Information card for entry 4112905

Structure parameters

• Formula: C35 H50 F3 N2 O3 S V
• Calculated formula: C35 H50 F3 N2 O3 S V
• SMILES: [V]1234([N](=[C]1([CH]2=[C]3(C=4C(C)(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)OS(=O)(=O)C(F)(F)F
• Title of publication: Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes
• Authors of publication: Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10506 - 10507
• a: 9.4958 ± 0.0009 Å
• b: 10.8384 ± 0.001 Å
• c: 17.7702 ± 0.0017 Å
• α: 96.789 ± 0.002°
• β: 91.184 ± 0.003°
• γ: 99.567 ± 0.002°
• Cell volume: 1789.3 ± 0.3 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No