Information card for entry 2210350

Structure parameters

• Chemical name: 1-tert-Butyl-2-(tert-butyloxysulfanyl)1-(3,5-dimethylbenzoyl)- 2-(4-ethylbenzoyl)hydrazine
• Formula: C26 H36 N2 O3 S
• Calculated formula: C26 H36 N2 O3 S
• SMILES: S(OC(C)(C)C)N(N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C)C(=O)c1ccc(CC)cc1
• Title of publication: 1-<i>tert</i>-Butyl-2-(<i>tert</i>-butoxysulfanyl)-1-(3,5-dimethylbenzoyl)-2-(4-ethylbenzoyl)hydrazine
• Authors of publication: Shang, Jian; Wang, Qing-Min; Huang, Run-Qiu; Chen, Li; Guo, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3778 - o3779
• a: 11.163 ± 0.005 Å
• b: 10.422 ± 0.004 Å
• c: 23.031 ± 0.01 Å
• α: 90°
• β: 93.298 ± 0.005°
• γ: 90°
• Cell volume: 2675 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes