Information card for entry 2007130
Chemical name |
((1S,2S,4R,5R,6S)-exo-2-acetoxy-endo-6-(3-butenyl)-3,3,exo-6- trimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate |
Formula |
C25 H36 O6 |
Calculated formula |
C25 H36 O6 |
SMILES |
O([C@H]1[C@H]2[C@@H]([C@@H](OC(=O)[C@]34OC(=O)[C@@](CC3)(C)C4(C)C)C1(C)C)[C@@]2(C)CCC=C)C(=O)C |
Title of publication |
Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds |
Authors of publication |
Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1998 |
Journal volume |
54 |
Journal issue |
3 |
Pages of publication |
392 - 398 |
a |
15.58 ± 0.001 Å |
b |
12.889 ± 0.001 Å |
c |
6.236 ± 0.0001 Å |
α |
90° |
β |
99.051 ± 0.004° |
γ |
90° |
Cell volume |
1236.66 ± 0.13 Å3 |
Cell temperature |
292 ± 2 K |
Ambient diffraction temperature |
292 ± 2 K |
Number of distinct elements |
3 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0505 |
Residual factor for significantly intense reflections |
0.0491 |
Weighted residual factors for all reflections included in the refinement |
0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.081 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2007130.html