Crystallography Open Database

Information card for entry 7219629

7219628 << 7219629 >> 7219630

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Structure parameters

Formula	C15 H19 N O4 S
Calculated formula	C15 H19 N O4 S
SMILES	S1[C@@H](N([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C)c1ccccc1
Title of publication	Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid
Authors of publication	Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang
Journal of publication	RSC Adv.
Year of publication	2015
a	10.308 ± 0.002 Å
b	6.379 ± 0.0013 Å
c	12.174 ± 0.002 Å
α	90°
β	100.71 ± 0.03°
γ	90°
Cell volume	786.6 ± 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	0.0674
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219629.cif
180527	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219629.cif
132203	2015-02-21	cif/ Adding structures of 7219626, 7219627, 7219628, 7219629 via cif-deposit CGI script.	7219629.cif