Information card for entry 2208307

Structure parameters

• Chemical name: Bis(2-azidoethyl) terephthalate
• Formula: C12 H12 N6 O4
• Calculated formula: C12 H12 N6 O4
• SMILES: C(COC(=O)c1ccc(C(=O)OCCN=N#N)cc1)N=N#N
• Title of publication: Bis(2-azidoethyl) terephthalate
• Authors of publication: Xiao-Ru Zhang; Shu-Sheng Zhang; Min-Hua Xu; Xue-Mei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1079 - o1080
• a: 5.2833 ± 0.0008 Å
• b: 5.7039 ± 0.0008 Å
• c: 12.0883 ± 0.0018 Å
• α: 88.052 ± 0.002°
• β: 85.975 ± 0.002°
• γ: 81.389 ± 0.002°
• Cell volume: 359.19 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes