Crystallography Open Database

Information card for entry 1549211

Preview

Coordinates	1549211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 Al N O3
Calculated formula	C27 H38 Al N O3
SMILES	[Al]1([N](Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)(Cc1occc1)Cc1occc1)(C)C
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	21.288 ± 0.01 Å
b	10.071 ± 0.005 Å
c	26.44 ± 0.013 Å
α	90°
β	112.811 ± 0.018°
γ	90°
Cell volume	5225 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0779
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
230534 (current)	2019-11-17	cif/ Updating files of 1549211, 1549212, 1549213, 1549214 Original log message: Adding full bibliography for 1549211--1549214.cif.	1549211.cif
214153	2019-03-18	cif/1 Fixing Z values and formulae	1549211.cif
207242	2018-04-05	cif/ Adding structures of 1549211, 1549212, 1549213, 1549214 via cif-deposit CGI script.	1549211.cif