Information card for entry 2217091

Structure parameters

• Chemical name: trans-Cyclohexane-1,4-diyl bis(4-nitrophenyl) dicarbonate
• Formula: C20 H18 N2 O10
• Calculated formula: C20 H18 N2 O10
• SMILES: C1(OC(=O)Oc2ccc(cc2)N(=O)=O)CCC(CC1)OC(=O)Oc1ccc(cc1)N(=O)=O
• Title of publication: <i>trans</i>-Cyclohexane-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: o282 - o282
• a: 7.6804 ± 0.0014 Å
• b: 11.6548 ± 0.0018 Å
• c: 12.3092 ± 0.0011 Å
• α: 63.201 ± 0.008°
• β: 87.254 ± 0.01°
• γ: 82.31 ± 0.007°
• Cell volume: 974.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.1518
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes