Information card for entry 2213477

Structure parameters

• Chemical name: N-Benzoyl-N'-(2-{2-[2-(N-benzoylthioureido)phenoxy]ethoxy}phenyl)thiourea
• Formula: C30 H26 N4 O4 S2
• Calculated formula: C30 H26 N4 O4 S2
• SMILES: S=C(NC(=O)c1ccccc1)Nc1ccccc1OCCOc1ccccc1NC(=S)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>'-(2-{2-[2-(<i>N</i>-benzoylthioureido)phenoxy]ethoxy}phenyl)thiourea
• Authors of publication: Cao, Cheng; Xiao, Tai; Wei, Tai-Bao; Zhang, You-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2699 - o2701
• a: 14.1248 ± 0.0007 Å
• b: 5.5175 ± 0.0003 Å
• c: 19.179 ± 0.001 Å
• α: 90°
• β: 108.408 ± 0.002°
• γ: 90°
• Cell volume: 1418.21 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes