Information card for entry 7155181

Structure parameters

• Formula: C26 H26 N4 O4 S
• Calculated formula: C26 H26 N4 O4 S
• SMILES: S(=O)(=O)(/N=C1\N(c2c(cccc2)/C1=N/NC(c1ccccc1)C(=O)OCC)C)c1ccc(cc1)C
• Title of publication: Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.
• Authors of publication: Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 7114 - 7118
• a: 33.094 ± 0.003 Å
• b: 9.7382 ± 0.0007 Å
• c: 15.8855 ± 0.0011 Å
• α: 90°
• β: 96.54 ± 0.007°
• γ: 90°
• Cell volume: 5086.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No