Information card for entry 7155052

Structure parameters

• Formula: C15 H10 N4 O
• Calculated formula: C15 H10 N4 O
• SMILES: o1c2ccccc2cc1c1nnnn1c1ccccc1
• 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: 13.301 ± 0.003 Å
• b: 13.892 ± 0.004 Å
• c: 6.7933 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1255.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No