Information card for entry 1502259

Structure parameters

• Formula: C34 H26 N2 O2 S
• Calculated formula: C34 H26 N2 O2 S
• SMILES: S(=O)(=O)(N1N=C(c2ccccc2)C(=C(\c2ccccc2)c2ccccc2)/C1c1ccccc1)c1ccccc1
• Title of publication: Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.
• Authors of publication: Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 3553 - 3555
• a: 11.8881 ± 0.0008 Å
• b: 12.18 ± 0.0007 Å
• c: 12.2791 ± 0.0007 Å
• α: 110.189 ± 0.005°
• β: 102.272 ± 0.005°
• γ: 113.776 ± 0.006°
• Cell volume: 1393.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No