Information card for entry 2228094

Structure parameters

• Common name: N,N'-Bis[(S)-1-methoxycarbonyl-2phenylethyl]-2,5-thiophenedicarboxamide
• Chemical name: Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5- diylbis(carbonylazanediyl)]dipropanoate
• Formula: C26 H26 N2 O6 S
• Calculated formula: C26 H26 N2 O6 S
• SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(s1)C(=O)N[C@H](C(=O)OC)Cc1ccccc1
• Title of publication: Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5-diylbis(carbonylazanediyl)]dipropanoate
• Authors of publication: Xia, Guang-Ming; Liu, Jing; Li, Zhen; Ji, Mu-Wei; Sun, Guo-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2385
• a: 9.0769 ± 0.0003 Å
• b: 29.6371 ± 0.0007 Å
• c: 9.3767 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2522.45 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes