Information card for entry 2218435

Structure parameters

• Chemical name: Methyl 3-(2-chlorophenyl)-2-(1H-indol-3-ylmethyl)-5-[1-(4-methoxyphenyl)-4-oxo- 3-phenylazetidin-2-yl]-4-nitropyrrolidine-2-carboxylate
• Formula: C37 H33 Cl N4 O6
• Calculated formula: C37 H33 Cl N4 O6
• SMILES: Clc1c([C@H]2[C@](N[C@@H]([C@@H]2N(=O)=O)[C@H]2N(C(=O)[C@H]2c2ccccc2)c2ccc(OC)cc2)(Cc2c[nH]c3c2cccc3)C(=O)OC)cccc1.Clc1c([C@@H]2[C@@](N[C@H]([C@H]2N(=O)=O)[C@@H]2N(C(=O)[C@@H]2c2ccccc2)c2ccc(OC)cc2)(Cc2c[nH]c3c2cccc3)C(=O)OC)cccc1
• Title of publication: Methyl 3-(2-chlorophenyl)-2-(1<i>H</i>-indol-3-ylmethyl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-4-nitropyrrolidine-2-carboxylate
• Authors of publication: Nirmala, S.; Kamala, E. Theboral Sugi; Sudha, L.; Arumugam, N.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1070 - o1071
• a: 10.399 ± 0.003 Å
• b: 12.5 ± 0.003 Å
• c: 14.211 ± 0.003 Å
• α: 93.766 ± 0.006°
• β: 99.962 ± 0.006°
• γ: 114.066 ± 0.005°
• Cell volume: 1642.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.131
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.3165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes