Information card for entry 2212663
Chemical name |
(1S,3R,6S,7R)-3,7-Dichloro-trans-himachalane |
Formula |
C15 H26 Cl2 |
Calculated formula |
C15 H26 Cl2 |
SMILES |
[C@H]12C[C@](CC[C@@H]1[C@](CCCC2(C)C)(C)Cl)(C)Cl |
Title of publication |
(1<i>S</i>,3<i>R</i>,6<i>S</i>,7<i>R</i>)-3,7-Dichloro-<i>trans</i>-himachalane |
Authors of publication |
Ourhriss, Najia; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha; Benharref, Ahmed |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
3 |
Pages of publication |
o1497 - o1499 |
a |
6.0259 ± 0.0004 Å |
b |
15.6356 ± 0.0009 Å |
c |
16.0117 ± 0.0011 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1508.6 ± 0.17 Å3 |
Cell temperature |
180 ± 2 K |
Ambient diffraction temperature |
180 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0386 |
Residual factor for significantly intense reflections |
0.0314 |
Weighted residual factors for significantly intense reflections |
0.0805 |
Weighted residual factors for all reflections included in the refinement |
0.09 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2212663.html