Information card for entry 2209835

Structure parameters

• Common name: 1,2-Bis(p-nitrophenyloxy)ethylene
• Chemical name: 1,2-Bis(p-nitrophenoxy)ethylene
• Formula: C14 H12 N2 O6
• Calculated formula: C14 H12 N2 O6
• SMILES: c1(ccc(cc1)N(=O)=O)OCCOc1ccc(cc1)N(=O)=O
• Title of publication: 1,2-Bis(<i>p</i>-nitrophenoxy)ethane
• Authors of publication: Butt, M. Saeed; Khawar Rauf, M.; Bolte, Michael; Akhter, Zareen; Zafar-uz-Zaman, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3440 - o3442
• a: 9.1465 ± 0.0012 Å
• b: 7.3137 ± 0.0007 Å
• c: 10.2852 ± 0.0013 Å
• α: 90°
• β: 93.353 ± 0.01°
• γ: 90°
• Cell volume: 686.85 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes