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Information card for entry 7153941
Preview
Coordinates | 7153941.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H27 N3 O3 |
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Calculated formula | C21 H27 N3 O3 |
SMILES | c1cc(c2O[C@H]3[C@H](CC[C@H]4[C@H]5Cc1c2[C@@]34CCN5C)NC(=O)C)NC(=O)C |
Title of publication | Synthesis and immunological effects of heroin vaccines. |
Authors of publication | Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 37 |
Pages of publication | 7211 - 7232 |
a | 9.167 ± 0.0002 Å |
b | 13.2568 ± 0.0003 Å |
c | 15.2701 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1855.7 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.045 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1236 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7153941.html
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Users of the data should acknowledge the original authors of the
structural data.