Crystallography Open Database

Information card for entry 1559237

Preview

Coordinates	1559237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 Al2 S2
Calculated formula	C14 H30 Al2 S2
SMILES	C1(CCCC1)[S]1[Al](C)(C)[S](C2CCCC2)[Al]1(C)C
Title of publication	Aluminum-Based Initiators from Thiols for Epoxide Polymerizations
Authors of publication	Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.
Journal of publication	Macromolecules
Year of publication	2020
Journal volume	53
Journal issue	19
Pages of publication	8181 - 8191
a	9.3362 ± 0.0006 Å
b	7.5154 ± 0.0006 Å
c	13.7022 ± 0.0008 Å
α	90°
β	105.557 ± 0.005°
γ	90°
Cell volume	926.2 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258719 (current)	2020-11-04	cif/ Updating files of 1559235, 1559236, 1559237 Original log message: Adding full bibliography for 1559235--1559237.cif.	1559237.cif
256903	2020-10-02	cif/ Adding structures of 1559237 via cif-deposit CGI script.	1559237.cif