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Information card for entry 2233519
Preview
Coordinates | 2233519.cif |
---|---|
Structure factors | 2233519.hkl |
Original IUCr paper | HTML |
Common name | 3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone |
---|---|
Chemical name | 6-[2-(2-Cyanoacetyl)hydrazin-1-ylidene]-5α-cholestan-3β-yl acetate |
Formula | C32 H51 N3 O3 |
Calculated formula | C32 H51 N3 O3 |
SMILES | N#CCC(=O)N/N=C1\C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@@H]1C[C@H](CC2)OC(=O)C)C)[C@@H](CCCC(C)C)C |
Title of publication | 3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone |
Authors of publication | Yusufzai, Samina Khan; Osman, Hasnah; Sulaiman, Othman; Arshad, Suhana; Razak, Ibrahim Abdul |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 2 |
Pages of publication | o473 - o474 |
a | 17.1691 ± 0.0002 Å |
b | 9.6694 ± 0.0001 Å |
c | 19.1447 ± 0.0003 Å |
α | 90° |
β | 109.171 ± 0.001° |
γ | 90° |
Cell volume | 3002.05 ± 0.07 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0868 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2233519.html
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Users of the data should acknowledge the original authors of the
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