Information card for entry 2205609

Structure parameters

• Chemical name: 2-Benzoyl-1-tert-butyl-2-(2-tert-butyl-1,2-dibenzoylhydrazinosulfanyl)- 1-(3,5-dimethylbenzoyl)hydrazine
• Formula: C38 H42 N4 O4 S
• Calculated formula: C38 H42 N4 O4 S
• SMILES: S(N(N(C(=O)c1ccccc1)C(C)(C)C)C(=O)c1ccccc1)N(N(C(C)(C)C)C(=O)c1cc(cc(c1)C)C)C(=O)c1ccccc1
• Title of publication: 2-Benzoyl-1-<i>tert</i>-butyl-2-(1,2-dibenzoyl-2-<i>tert</i>-butylhydrazinosulfanyl)-1-(3,5-dimethylbenzoyl)hydrazine
• Authors of publication: Shang, Jian; Wang, Qing-Min; Song, Hai-Bin; Huang, Run-Qiu; Chen, Li; Mao, Chun-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o936 - o938
• a: 15.641 ± 0.002 Å
• b: 14.2886 ± 0.0018 Å
• c: 17.112 ± 0.002 Å
• α: 90°
• β: 112.678 ± 0.002°
• γ: 90°
• Cell volume: 3528.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.113
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes