Information card for entry 2013015

Structure parameters

• Chemical name: (S)-trans-cyclohexane-1,2-dicarboximide
• Formula: C8 H11 N O2
• Calculated formula: C8 H11 N O2
• SMILES: O=C1NC(=O)[C@H]2CCCC[C@H]12
• Title of publication: (<i>S</i>)-<i>trans</i>-Cyclohexane-1,2-dicarboximide
• Authors of publication: Gdaniec, Maria; Nowak, Elżbieta; Milewska, Maria J.; Połoński, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o661 - o662
• a: 5.903 ± 0.001 Å
• b: 5.903 ± 0.001 Å
• c: 45.164 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1573.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No