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Information card for entry 4037631
Preview
Coordinates | 4037631.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H27 N O5 |
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Calculated formula | C24 H27 N O5 |
SMILES | C1(=O)[C@]2(c3ccccc3N1Cc1ccccc1)C[C@@](CO)(C)[C@@H](CC(=O)OCC)O2.C1(=O)[C@@]2(c3ccccc3N1Cc1ccccc1)C[C@](CO)(C)[C@H](CC(=O)OCC)O2 |
Title of publication | Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone. |
Authors of publication | Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 24 |
Pages of publication | 16124 - 16138 |
a | 14.2282 ± 0.0014 Å |
b | 9.0871 ± 0.0009 Å |
c | 16.8947 ± 0.0016 Å |
α | 90° |
β | 94.998 ± 0.003° |
γ | 90° |
Cell volume | 2176.1 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1987 |
Residual factor for significantly intense reflections | 0.0801 |
Weighted residual factors for significantly intense reflections | 0.1603 |
Weighted residual factors for all reflections included in the refinement | 0.2108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037631.html
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