Crystallography Open Database

Information card for entry 7043118

Preview

Coordinates	7043118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H56 Al2 N2 O2
Calculated formula	C34 H56 Al2 N2 O2
SMILES	c1ccc2CCC[C@H]3c2[n]1[Al]1([O]3[Al]2([n]3cccc4CCC[C@H](c34)[O]12)(CC(C)C)CC(C)C)(CC(C)C)CC(C)C
Title of publication	Thermo-enhanced ring-opening polymerization of ε-caprolactone: The synthesis, characterization and catalytic behavior of aluminum hydroquinolin-8-olates
Authors of publication	Zhang, Qiurui; Zhang, Wenjuan; Rajendran, Natesan Mannangatti; Liang, Tongling; Sun, Wen Hua
Journal of publication	Dalton Trans.
Year of publication	2017
a	9.2441 ± 0.0018 Å
b	9.926 ± 0.002 Å
c	10.261 ± 0.002 Å
α	69.83 ± 0.03°
β	85.85 ± 0.03°
γ	79.94 ± 0.03°
Cell volume	870.1 ± 0.3 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
196988 (current)	2017-05-26	cif/ Adding structures of 7043118, 7043119, 7043120, 7043121 via cif-deposit CGI script.	7043118.cif