Crystallography Open Database

Information card for entry 2008244

2008243 << 2008244 >> 2008245

Preview

Coordinates	2008244.cif
Original IUCr paper	HTML

Structure parameters

Common name	Troglitazone
Chemical name	5-{4-[(4a,5,6,7,8,8a-hexahydro-6-hydroxy-2,5,7,8-tetramethylchroman-2- yl)methyloxy]benzyl}thiazolidine-2,4-dione
Formula	C24 H27 N O5 S
Calculated formula	C24 H27 N O5 S
SMILES	S1[C@H](Cc2ccc(OC[C@]3(Oc4c(CC3)c(c(O)c(c4C)C)C)C)cc2)C(=O)NC1=O.S1[C@@H](Cc2ccc(OC[C@@]3(Oc4c(CC3)c(c(O)c(c4C)C)C)C)cc2)C(=O)NC1=O
Title of publication	Troglitazone, an euglycemic antidiabetic drug
Authors of publication	K. Vyas; A. Sivalakshmidevi; C. Prabhakar; G. Om Reddy
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	3
Pages of publication	411 - 413
a	16.239 ± 0.003 Å
b	11.717 ± 0.003 Å
c	11.627 ± 0.004 Å
α	90°
β	93.69 ± 0.02°
γ	90°
Cell volume	2207.7 ± 1 Å³
Cell temperature	298.2 K
Ambient diffraction temperature	298.2 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	0.092
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections	1.828
Goodness-of-fit parameter for all reflections included in the refinement	2.039
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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