Information card for entry 2204469

Structure parameters

• Chemical name: 1,2-Bis(2,4-dinitrophenoxy)ethane
• Formula: C14 H10 N4 O10
• Calculated formula: C14 H10 N4 O10
• SMILES: N(=O)(=O)c1c(ccc(c1)N(=O)=O)OCCOc1c(cc(cc1)N(=O)=O)N(=O)=O
• Title of publication: 1,2-Bis(2,4-dinitrophenoxy)ethane
• Authors of publication: P. G. Aravindan; S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Saravanan; P. C. Srinivasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2056 - o2058
• a: 6.8876 ± 0.0001 Å
• b: 13.9289 ± 0.0001 Å
• c: 16.5396 ± 0.0005 Å
• α: 90°
• β: 95.146 ± 0.003°
• γ: 90°
• Cell volume: 1580.36 ± 0.05 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: 0.0539
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes