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Information card for entry 2236267
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2236267.cif |
---|---|
Structure factors | 2236267.hkl |
Original IUCr paper | HTML |
Common name | (20<i>S</i>)-Dammar-24-ene-3β,20-diol |
---|---|
Chemical name | (1<i>R</i>,2<i>R</i>,5<i>R</i>,7<i>R</i>,10<i>R</i>,11<i>R</i>,14<i>S</i>, 15<i>R</i>)-14-[(2<i>S</i>)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11- pentamethyltetracyclo[8.7.0.0^2,7^.0^11,15^]heptadecan-5-ol monohydrate |
Formula | C30 H54 O3 |
Calculated formula | C30 H54 O3 |
Title of publication | (20<i>S</i>)-Dammar-24-ene-3β,20-diol monohydrate from the bark of <i>Aglaia exima</i> (Meliaceae) |
Authors of publication | Safariari, Agus; Supriadin, Asep; Supratman, Unang; Awang, Khalijah; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 9 |
Pages of publication | o2712 - o2713 |
a | 19.9229 ± 0.0001 Å |
b | 19.9229 Å |
c | 7.3302 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2909.52 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 77 |
Hermann-Mauguin space group symbol | P 42 |
Hall space group symbol | P 4c |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0768 |
Weighted residual factors for significantly intense reflections | 0.2605 |
Weighted residual factors for all reflections included in the refinement | 0.2656 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/2236267.html
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Users of the data should acknowledge the original authors of the
structural data.