Information card for entry 7150764

Structure parameters

• Formula: C26 H20 Br Cl F4 N3 O4 S
• Calculated formula: C26 H20 Br Cl F4 N3 O4 S
• Title of publication: Multicatalytic tandem reaction of N′-(2-alkynylbenzylidene)hydrazide with indole
• Authors of publication: Yu, Xingxin; Yang, Xiaodi; Wu, Jie
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4526 - 4530
• a: 11.839 ± 0.002 Å
• b: 10.8146 ± 0.0018 Å
• c: 21.529 ± 0.004 Å
• α: 90°
• β: 99.293 ± 0.002°
• γ: 90°
• Cell volume: 2720.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No