Information card for entry 7711233

Structure parameters

• Formula: C38 H47 As N2 O4
• Calculated formula: C38 H47 As N2 O4
• SMILES: [As]1=C(C(=C(Nc2c(cccc2C(C)C)C(C)C)c2c1c(ccc2)CNc1c(cccc1C(C)C)C(C)C)C(=O)OC)C(=O)OC
• 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: 11.1958 ± 0.0005 Å
• b: 12.5602 ± 0.0006 Å
• c: 12.8491 ± 0.0006 Å
• α: 89.006 ± 0.002°
• β: 80.927 ± 0.002°
• γ: 80.477 ± 0.002°
• Cell volume: 1759.59 ± 0.14 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: 0.0466
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No