Information card for entry 7711230

Structure parameters

• Formula: C38 H45 Bi N2 O4
• Calculated formula: C38 H45 Bi N2 O4
• 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: 22.8568 ± 0.0007 Å
• b: 10.9255 ± 0.0004 Å
• c: 28.4085 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7094.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No