Information card for entry 7151675

Structure parameters

• Formula: C13 H20 N2 O5
• Calculated formula: C13 H20 N2 O5
• SMILES: C(=O)(NCCOC(=O)C(=C)C)NCCOC(=O)C(=C)C
• Title of publication: Suppression of background sites in molecularly imprinted polymers via urea-urea monomer aggregation.
• Authors of publication: Zhang, Yagang; Song, Di; Brown, Julius C.; Shimizu, Ken D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 120 - 126
• a: 20.618 ± 0.003 Å
• b: 4.6216 ± 0.0006 Å
• c: 16.874 ± 0.002 Å
• α: 90°
• β: 117.449 ± 0.002°
• γ: 90°
• Cell volume: 1426.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No