Information card for entry 2227323

Structure parameters

• Chemical name: Cyclohexane-1,3-diyl bis(<i>N</i>-phenylcarbamate)
• Formula: C20 H22 N2 O4
• Calculated formula: C20 H22 N2 O4
• SMILES: O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](C1)OC(=O)Nc1ccccc1
• Title of publication: Cyclohexane-1,3-diyl bis(<i>N</i>-phenylcarbamate)
• Authors of publication: Ghalib, Raza Murad; Sulaiman, Othman; Mehdi, Sayed Hasan; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2406 - o2407
• a: 38.356 ± 0.007 Å
• b: 9.5453 ± 0.0016 Å
• c: 9.8472 ± 0.0016 Å
• α: 90°
• β: 91.034 ± 0.003°
• γ: 90°
• Cell volume: 3604.7 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes