Information card for entry 2217090

Structure parameters

• Chemical name: trans-Cyclohex-2-ene-1,4-diyl bis(4-nitrophenyl) dicarbonate
• Formula: C20 H16 N2 O10
• Calculated formula: C20 H16 N2 O10
• Title of publication: <i>trans</i>-Cyclohex-2-ene-1,4-diyl bis(4-nitrophenyl) dicarbonate
• Authors of publication: Nawazish Ali, Syed; Begum, Sabira; Winnik, Mitchell A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o281 - o281
• a: 5.6874 ± 0.0004 Å
• b: 13.4958 ± 0.001 Å
• c: 12.7017 ± 0.0005 Å
• α: 90°
• β: 96.453 ± 0.004°
• γ: 90°
• Cell volume: 968.76 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes