Information card for entry 2202856

Structure parameters

• Chemical name: Ethyl 4'-(4-methoxyphenyl)-1',7''-dimethyl-2,3''-dioxo-5''-phenyl- 2,3,2'',3'',4'',5''-tetrahydro-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro- 2''-(thiazolo[3,2-a]pyrimidine)-6''-carboxylate
• Formula: C34 H32 N4 O5 S
• Calculated formula: C34 H32 N4 O5 S
• SMILES: CCOC(=O)C1=C(C)N=C2N([C@@H]1c1ccccc1)C(=O)[C@]1(S2)[C@H](CN([C@]21C(=O)Nc1c2cccc1)C)c1ccc(cc1)OC.CCOC(=O)C1=C(C)N=C2N([C@H]1c1ccccc1)C(=O)[C@@]1(S2)[C@@H](CN([C@@]21C(=O)Nc1c2cccc1)C)c1ccc(cc1)OC
• Title of publication: Ethyl 4'-(4-methoxyphenyl)-1',7''-dimethyl-2,3''-dioxo-5''-phenyl-2,3,2'',3'',4'',5''-tetrahydro-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-(thiazolo[3,2-<i>a</i>]pyrimidine)-6''-carboxylate
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Shi, Da-Xin; Chen, Hong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1416 - o1417
• a: 14.99 ± 0.006 Å
• b: 11.375 ± 0.005 Å
• c: 17.815 ± 0.008 Å
• α: 90°
• β: 92.254 ± 0.006°
• γ: 90°
• Cell volume: 3035 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes