Information card for entry 2207867

Structure parameters

• Chemical name: Bis(2-azidoethyl) pyridine-2,6-dicarboxylate
• Formula: C11 H11 N7 O4
• Calculated formula: C11 H11 N7 O4
• SMILES: c1cc(C(=O)OCCN=N#N)nc(c1)C(=O)OCCN=N#N
• Title of publication: Bis(2-azidoethyl) pyridine-2,6-dicarboxylate
• Authors of publication: Ping Du; Xiao-Ru Zhang; Min-Hua Xu; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o300 - o302
• a: 14.407 ± 0.003 Å
• b: 11.854 ± 0.003 Å
• c: 8.942 ± 0.002 Å
• α: 90°
• β: 111.142 ± 0.003°
• γ: 90°
• Cell volume: 1424.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes