Information card for entry 7155053

Structure parameters

• Formula: C24 H22 N4 O2 S
• Calculated formula: C24 H22 N4 O2 S
• SMILES: S(=O)(=O)(n1c2ccccc2c(c1[C@H](N=N#N)c1ccc(cc1)C)C)c1ccc(cc1)C
• Title of publication: Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.
• Authors of publication: Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4077 - 4088
• a: 8.431 ± 0.002 Å
• b: 12.486 ± 0.003 Å
• c: 10.251 ± 0.003 Å
• α: 90°
• β: 90.558 ± 0.005°
• γ: 90°
• Cell volume: 1079.1 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No