Information card for entry 7711235

Structure parameters

• Formula: C44 H51 N2 O8 Sb
• Calculated formula: C44 H51 N2 O8 Sb
• SMILES: [Sb]12N(C(c3c1c(ccc3)C(=N\c1c(C(C)C)cccc1C(C)C)\C(=C/C(=O)OC)C(=O)OC)C(=C2C(=O)OC)C(=O)OC)c1c(cccc1C(C)C)C(C)C
• Title of publication: Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.
• Authors of publication: Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.361 ± 0.003 Å
• b: 14.19 ± 0.003 Å
• c: 15.078 ± 0.003 Å
• α: 89.581 ± 0.008°
• β: 71.665 ± 0.009°
• γ: 66.48 ± 0.009°
• Cell volume: 2096.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No