Crystallography Open Database

Information card for entry 1548888

Preview

Coordinates	1548888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 O6 S2
Calculated formula	C22 H24 O6 S2
SMILES	S(C[C@H]1OC(=O)[C@@H](OC1=O)CSCc1ccc(OC)cc1)Cc1ccc(OC)cc1
Title of publication	Thiol-substituted copolylactide: synthesis, characterization and post-polymerization modification using thiol‒ene chemistry
Authors of publication	Kalelkar, Pranav P.; Collard, David M.
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	8
Pages of publication	1022
a	5.5834 ± 0.0009 Å
b	7.362 ± 0.0011 Å
c	12.537 ± 0.002 Å
α	91.1515 ± 0.0018°
β	93.4047 ± 0.0017°
γ	100.667 ± 0.0017°
Cell volume	505.28 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
230956 (current)	2019-11-17	cif/ Updating files of 1548888 Original log message: Adding full bibliography for 1548888.cif.	1548888.cif
206291	2018-02-08	cif/ Adding structures of 1548888 via cif-deposit CGI script.	1548888.cif