Information card for entry 1518767

Structure parameters

• Formula: C16 H11 Br N6 O3
• Calculated formula: C16 H11 Br N6 O3
• SMILES: Brc1ccc(C(=O)OCC(N=N#N)(N=N#N)C(=O)c2ccccc2)cc1
• Title of publication: Regioselective Iodoazidation of Alkynes: Synthesis of α,α-Diazidoketones
• Authors of publication: Okamoto, Noriko; Sueda, Takuya; Minami, Hideki; Miwa, Yoshihisa; Yanada, Reiko
• Journal of publication: Organic Letters
• Year of publication: 2015
• Pages of publication: 150226085504000
• a: 17.554 ± 0.005 Å
• b: 6.445 ± 0.0019 Å
• c: 15.846 ± 0.004 Å
• α: 90°
• β: 111.672 ± 0.015°
• γ: 90°
• Cell volume: 1666 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No