Information card for entry 2011696
Common name |
N-phenylmaleimide adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene |
Chemical name |
2-phenyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benz[e]isoindole-6-spiro- 2'-[1,3]oxathiolane-1,3-dione |
Formula |
C20 H21 N O3 S |
Calculated formula |
C20 H21 N O3 S |
SMILES |
S1CCO[C@]21CCC[C@H]1C2=CC[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1 |
Title of publication |
Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene |
Authors of publication |
Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2001 |
Journal volume |
57 |
Journal issue |
1 |
Pages of publication |
82 - 85 |
a |
12.047 ± 0.002 Å |
b |
7.808 ± 0.002 Å |
c |
9.718 ± 0.001 Å |
α |
90° |
β |
108.71 ± 0.01° |
γ |
90° |
Cell volume |
865.8 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.051 |
Residual factor for significantly intense reflections |
0.049 |
Weighted residual factors for all reflections included in the refinement |
0.125 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.15 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2011696.html