Information card for entry 7060725

Structure parameters

• Formula: C24 H35 Ge N O
• Calculated formula: C24 H35 Ge N O
• SMILES: [Ge]1N(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C12CC3CC(C1)CC(C2)C3
• Title of publication: O,N-HETEROCYCLIC GERMYLENES AS EFFICIENT CATALYSTS FOR HYDROBORATION AND CYANOSILYLATION OF BENZALDEHYDE
• Authors of publication: Arsenyeva, Kseniya Vital'evna; Pashanova, Kira Igorevna; Trofimova, Olesya Yur'evna; Ershova, Irina V.; Chegerev, Maxim G.; Starikova, Alyona A.; Cherkasov, Anton Vladimirovich; Syroeshkin, Mikhail A.; Kozmenkova, Anna Ya.; Piskunov, Alexandr Vladimirovich
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 11758 - 11767
• a: 10.4557 ± 0.0003 Å
• b: 15.3711 ± 0.0004 Å
• c: 13.4947 ± 0.0003 Å
• α: 90°
• β: 92.266 ± 0.001°
• γ: 90°
• Cell volume: 2167.11 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No