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Information card for entry 7229412
Preview
Coordinates | 7229412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H35 N5 O |
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Calculated formula | C18 H35 N5 O |
SMILES | O1[C@@H](N[C@H](c2n(nnn2)C(CC(C)(C)C)(C)C)C(C)(C)C1)C(C)C.O1[C@H](N[C@@H](c2n(nnn2)C(CC(C)(C)C)(C)C)C(C)(C)C1)C(C)C |
Title of publication | Diastereoselective one pot five-component reaction toward 4-(tetrazole)-1,3-oxazinanes |
Authors of publication | Chandgude, Ajay L.; Narducci, Daniele; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 79 |
Pages of publication | 49995 |
a | 12.4795 ± 0.0008 Å |
b | 15.9839 ± 0.0007 Å |
c | 10.6108 ± 0.0008 Å |
α | 90° |
β | 112.921 ± 0.008° |
γ | 90° |
Cell volume | 1949.4 ± 0.2 Å3 |
Cell temperature | 129.6 ± 0.8 K |
Ambient diffraction temperature | 129.6 ± 0.8 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
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/7229412.html
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Users of the data should acknowledge the original authors of the
structural data.