Crystallography Open Database

Information card for entry 1565763

Preview

Coordinates	1565763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O S2
Calculated formula	C18 H19 N O S2
SMILES	S1C(=S)O[C@@H](CN(Cc2ccccc2)Cc2ccccc2)C1
Title of publication	Cationic ring-opening polymerization of a five membered cyclic dithiocarbonate having a tertiary amine moiety
Authors of publication	Krishnamurthy, Suvratha; Yoshida, Yoshiaki; Endo, Takeshi
Journal of publication	Polymer Chemistry
Year of publication	2022
Journal volume	13
Journal issue	2
Pages of publication	267 - 274
a	8.4425 ± 0.0004 Å
b	10.2492 ± 0.0003 Å
c	19.6013 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1696.08 ± 0.12 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0257
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272788 (current)	2022-02-04	cif/ Updating files of 1565763 Original log message: Adding full bibliography for 1565763.cif.	1565763.cif
271432	2021-12-15	cif/ Adding structures of 1565763 via cif-deposit CGI script.	1565763.cif