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Information card for entry 4030958
Preview
Coordinates | 4030958.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H27 N O3 S |
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Calculated formula | C25 H27 N O3 S |
SMILES | S(=O)(=O)(N1[C@H](CO[C@@](c2ccccc2)(C1)C)Cc1ccccc1)c1ccc(cc1)C |
Title of publication | Synthesis of Five-, Six-, and Seven-Membered 1,3- and 1,4-Heterocyclic Compounds via Intramolecular Hydroalkoxylation/Hydrothioalkoxylation of Alkenols/Thioalkenols. |
Authors of publication | Deka, Manash J.; Indukuri, Kiran; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 9 |
Pages of publication | 4349 - 4359 |
a | 7.2875 ± 0.0003 Å |
b | 10.6142 ± 0.0004 Å |
c | 14.7414 ± 0.0006 Å |
α | 90° |
β | 91.936 ± 0.004° |
γ | 90° |
Cell volume | 1139.61 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0851 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4030958.html
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