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Information card for entry 1545211
Preview
Coordinates | 1545211.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H19 N5 O |
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Calculated formula | C14 H19 N5 O |
SMILES | O1CC(NCC1)(c1n(nnn1)Cc1ccc(cc1)C)C |
Title of publication | De Novo Assembly of Highly Substituted Morpholines and Piperazines. |
Authors of publication | Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 3 |
Pages of publication | 642 - 645 |
a | 11.5604 ± 0.0003 Å |
b | 7.8775 ± 0.0002 Å |
c | 15.7761 ± 0.0005 Å |
α | 90° |
β | 92.698 ± 0.003° |
γ | 90° |
Cell volume | 1435.09 ± 0.07 Å3 |
Cell temperature | 130 ± 0.1 K |
Ambient diffraction temperature | 130 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0485 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1238 |
Weighted residual factors for all reflections included in the refinement | 0.1268 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
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/1545211.html
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Users of the data should acknowledge the original authors of the
structural data.