Information card for entry 2227168

Structure parameters

• Chemical name: Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5- diylbis(carbonylazanediyl)]dipropanoate tetrahydrofuran monosolvate
• Formula: C30 H34 N2 O7 S
• Calculated formula: C30 H34 N2 O7 S
• SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)N[C@H](C(=O)OC)Cc2ccccc2)s1.C1CCCO1
• Title of publication: Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5-diylbis(carbonylazanediyl)]dipropanoate tetrahydrofuran monosolvate
• Authors of publication: Xia, GuangMing; Liu, Jing; Li, Zhen; Ji, MuWei; Sun, GuoXin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2489
• a: 8.3041 ± 0.0003 Å
• b: 12.181 ± 0.0004 Å
• c: 29.6787 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.07 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes