Crystallography Open Database

Information card for entry 1549213

Preview

Coordinates	1549213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 Al Cl N O3
Calculated formula	C26 H35 Al Cl N O3
Title of publication	Synthesis and characterization of neutral and cationic aluminum complexes supported by a furfuryl-containing aminophenolate ligand for ring-opening polymerization of ε-caprolactone
Authors of publication	Kiriratnikom, Jiraya; Chotchatchawankul, Sucheewin; Haesuwannakij, Setsiri; Kiatisevi, Supavadee; Phomphrai, Khamphee
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8374
a	21.164 ± 0.003 Å
b	10.0463 ± 0.0013 Å
c	26.332 ± 0.003 Å
α	90°
β	112.398 ± 0.004°
γ	90°
Cell volume	5176.3 ± 1.2 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	6
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	0.0758
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230534 (current)	2019-11-17	cif/ Updating files of 1549211, 1549212, 1549213, 1549214 Original log message: Adding full bibliography for 1549211--1549214.cif.	1549213.cif
207242	2018-04-05	cif/ Adding structures of 1549211, 1549212, 1549213, 1549214 via cif-deposit CGI script.	1549213.cif