Crystallography Open Database

Information card for entry 7219626

7219625 << 7219626 >> 7219627

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Structure parameters

Formula	C16 H21 N O5 S
Calculated formula	C16 H21 N O5 S
SMILES	S1[C@@H](N([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C)c1c(OC)cccc1
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	6.424 ± 0.0013 Å
b	10.255 ± 0.002 Å
c	27.064 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1782.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1937
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	7219626.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.	7219626.cif
132203	2015-02-21	cif/ Adding structures of 7219626, 7219627, 7219628, 7219629 via cif-deposit CGI script.	7219626.cif