Information card for entry 1544523

Structure parameters

• Formula: C26 H32 N4 O4 Si
• Calculated formula: C26 H32 N4 O4 Si
• SMILES: N1=C(CCC(N1C(=O)c1ccccc1)(O[Si](C)(C)C(C)(C)C)C(=N#N)C(=O)OC)c1ccccc1
• 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: 11.071 ± 0.002 Å
• b: 13.272 ± 0.003 Å
• c: 18.896 ± 0.004 Å
• α: 78.005 ± 0.007°
• β: 87.787 ± 0.007°
• γ: 84.779 ± 0.007°
• Cell volume: 2704 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No