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Information card for entry 2103723
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Coordinates | 2103723.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Formula | C27 H47 N O2 |
---|---|
Calculated formula | C27 H47 N O2 |
SMILES | O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@](O)(C)[C@H]1N(CCCC1)C)C)C |
Title of publication | Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its <i>N</i>-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of <i>Trypanosoma cruzi</i> |
Authors of publication | Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 5 |
Pages of publication | 714 - 721 |
a | 10.478 ± 0.003 Å |
b | 7.213 ± 0.002 Å |
c | 16.384 ± 0.002 Å |
α | 90° |
β | 99.58 ± 0.02° |
γ | 90° |
Cell volume | 1221 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.074 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for all reflections | 0.1404 |
Weighted residual factors for all reflections included in the refinement | 0.1157 |
Goodness-of-fit parameter for all reflections | 0.991 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71069 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/2103723.html
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Users of the data should acknowledge the original authors of the
structural data.