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Information card for entry 7150926
Preview
Coordinates | 7150926.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H33 Br N2 O7 S |
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Calculated formula | C25 H33 Br N2 O7 S |
SMILES | [C@H]12[NH+](C)CC[C@@]3(c4cc(N(=O)=O)ccc4O[C@H]13)CCC2.[C@]12(C)C(=O)[C@@H]([C@H](CC1)[C@]2(C)CS(=O)(=O)[O-])Br |
Title of publication | Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans |
Authors of publication | Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2008 |
Journal volume | 6 |
Journal issue | 16 |
Pages of publication | 2868 - 2883 |
a | 7.719 ± 0.003 Å |
b | 13.922 ± 0.005 Å |
c | 24.899 ± 0.012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2675.7 ± 1.9 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0508 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7150926.html
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