Information card for entry 2220763

Structure parameters

• Chemical name: <i>rac</i>-(4<i>R</i>,17<i>S</i>,18<i>R</i>,26<i>R</i>)-Ethyl 4'-methoxycarbonyl-5''-(4-methoxyphenyl)-1'-methyl-2,3''-dioxo-2'',3''- dihydroindoline-3-spiro-2'-pyrrolidine-3'-spiro-2''-thiazolo[3,2-a]pyrimidine- 6''-carboxylate
• Formula: C30 H30 N4 O7 S
• Calculated formula: C30 H30 N4 O7 S
• SMILES: S1C2=NC(=C([C@H](N2C(=O)[C@@]21[C@@]1(N(C[C@@H]2C(=O)OC)C)c2ccccc2NC1=O)c1ccc(OC)cc1)C(=O)OCC)C.S1C2=NC(=C([C@@H](N2C(=O)[C@]21[C@]1(N(C[C@H]2C(=O)OC)C)c2ccccc2NC1=O)c1ccc(OC)cc1)C(=O)OCC)C
• Title of publication: <i>rac</i>-(4<i>R</i>,17<i>S</i>,18<i>R</i>,26<i>R</i>)-Ethyl 4'-methoxycarbonyl-5''-(4-methoxyphenyl)-1'-methyl-2,3''-dioxo-2'',3''-dihydroindoline-3-spiro-2'-pyrrolidine-3'-spiro-2''-thiazolo[3,2-<i>a</i>]pyrimidine-6''-carboxylate
• Authors of publication: Hou, Zhao-Hui; Zhou, Ning-Bo; He, Bin-Hong; Li, Xiao-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o398
• a: 9.944 ± 0.002 Å
• b: 11.389 ± 0.002 Å
• c: 13.417 ± 0.003 Å
• α: 98.06 ± 0.03°
• β: 107.36 ± 0.03°
• γ: 101 ± 0.03°
• Cell volume: 1391.8 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes