Crystallography Open Database

Information card for entry 2011696

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Structure parameters

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 F_obs	Yes

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