Information card for entry 1544521

Structure parameters

• Formula: C26 H32 N2 O4 Si
• Calculated formula: C26 H32 N2 O4 Si
• SMILES: [Si](O[C@]12N(N=C(C[C@@]2(C1)C(=O)OC)c1ccccc1)C(=O)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.
• Authors of publication: Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 5884 - 5887
• a: 11.118 ± 0.002 Å
• b: 19.642 ± 0.003 Å
• c: 12.625 ± 0.002 Å
• α: 90°
• β: 110.85 ± 0.02°
• γ: 90°
• Cell volume: 2576.5 ± 0.8 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No