Crystallography Open Database

Information card for entry 2008535

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Structure parameters

Chemical name	3-ethyl-5-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)-methynyl]- 2,4-triazolidindione
Formula	C20 H25 N O2 S
Calculated formula	C20 H25 N O2 S
SMILES	CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)(C)CCC3(C)C)C1=O
Title of publication	3-Ethyl-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylmethylene)thiazolidine-2,4-dione
Authors of publication	Bozdag-Dundar, Oya; Dundar, Burak; Buyukbingol, Erdem; Caira, Mino R
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	6
Pages of publication	1027 - 1029
a	10.412 ± 0.001 Å
b	8.516 ± 0.001 Å
c	21.556 ± 0.001 Å
α	90°
β	101.223 ± 0.01°
γ	90°
Cell volume	1874.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for all reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections	1.049
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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