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Information card for entry 7225274
Preview
Coordinates | 7225274.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 N3 O |
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Calculated formula | C19 H21 N3 O |
SMILES | c12c(cccc1)OC[C@H]1Cc3c(N[C@H]21)n(cc3C#N)C(C)(C)C.c12c(cccc1)OC[C@@H]1Cc3c(N[C@@H]21)n(cc3C#N)C(C)(C)C |
Title of publication | Highly stereoselective and catalyst-free synthesis of annulated tetrahydropyridines by intramolecular imino-Diels‒Alder reaction under microwave irradiation in water |
Authors of publication | Lezana, Nicolás; Matus-Pérez, Massiel; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo |
Journal of publication | Green Chem. |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 13 |
Pages of publication | 3712 |
a | 11.725 ± 0.002 Å |
b | 17.259 ± 0.003 Å |
c | 16.041 ± 0.003 Å |
α | 90° |
β | 90.789 ± 0.009° |
γ | 90° |
Cell volume | 3245.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.106 |
Residual factor for significantly intense reflections | 0.0982 |
Weighted residual factors for significantly intense reflections | 0.2434 |
Weighted residual factors for all reflections included in the refinement | 0.2486 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
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/7225274.html
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