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Information card for entry 2213204
Preview
Coordinates | 2213204.cif |
---|---|
Structure factors | 2213204.hkl |
Original IUCr paper | HTML |
Chemical name | Ethyl 2-(1H-indol-3-yl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]- 4-nitro-3-(p-tolyl)pyrrolidine-2-carboxylate |
---|---|
Formula | C39 H38 N4 O6 |
Calculated formula | C39 H38 N4 O6 |
SMILES | [C@@]1([C@@H]([C@H]([C@@H]([C@@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(cc2)OC)N1)N(=O)=O)c1ccc(cc1)C)(Cc1c[nH]c2ccccc12)C(=O)OCC.[C@]1([C@H]([C@@H]([C@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(cc2)OC)N1)N(=O)=O)c1ccc(cc1)C)(Cc1c[nH]c2ccccc12)C(=O)OCC |
Title of publication | Ethyl 2-(1<i>H</i>-indol-3-yl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-4-nitro-3-(<i>p</i>-tolyl)pyrrolidine-2-carboxylate |
Authors of publication | G. T. Sruthi; D. Gayathri; D. Velmurugan; K. Ravikumar; N. Arumugam |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | o2221 - o2223 |
a | 11.2689 ± 0.0008 Å |
b | 35.612 ± 0.002 Å |
c | 8.8848 ± 0.0006 Å |
α | 90° |
β | 99.785 ± 0.001° |
γ | 90° |
Cell volume | 3513.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0572 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1394 |
Weighted residual factors for all reflections included in the refinement | 0.147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2213204.html
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