Information card for entry 2209780

Structure parameters

• Chemical name: 1,4-phenylenebis(methylene) bis(phenylcarbamate)
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: O=C(Nc1ccccc1)OCc1ccc(cc1)COC(=O)Nc1ccccc1
• Title of publication: <i>p</i>-Phenylenedimethylene bis(<i>N</i>-phenylcarbamate)
• Authors of publication: Liqun Yan; Li Wu; Xuefang Shi; Wenqin Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3292 - o3293
• a: 18.973 ± 0.005 Å
• b: 5.0236 ± 0.0014 Å
• c: 9.915 ± 0.003 Å
• α: 90°
• β: 95.944 ± 0.005°
• γ: 90°
• Cell volume: 939.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0753
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes