Information card for entry 2211304

Structure parameters

• Chemical name: N,N'-1,2-Ethanediylbis{2-[(N-benzylcarbamoyl)methoxy]benzamide}
• Formula: C34 H34 N4 O6
• Calculated formula: C34 H34 N4 O6
• SMILES: O=C(NCc1ccccc1)COc1ccccc1C(=O)NCCNC(=O)c1ccccc1OCC(=O)NCc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-1,2-Ethanediylbis{2-[(<i>N</i>-benzylcarbamoyl)methoxy]benzamide}
• Authors of publication: Wei Wang; Yong Huang; Ning Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5557 - o5559
• a: 12.7401 ± 0.0003 Å
• b: 13.61 ± 0.0004 Å
• c: 8.8838 ± 0.0002 Å
• α: 90°
• β: 105.457 ± 0.001°
• γ: 90°
• Cell volume: 1484.67 ± 0.07 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: 0.0563
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes