Crystallography Open Database

Information card for entry 7227942

Preview

Coordinates	7227942.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	alonnphcl
Chemical name	LBu-AlMe2
Formula	C24 H32 Al Cl N2 O
Calculated formula	C24 H32 Al Cl N2 O
SMILES	[Al]1(Oc2c(cc(cc2C=[N]1N=Cc1ccc(Cl)cc1)C(C)(C)C)C(C)(C)C)(C)C
Title of publication	Investigation of the dinuclear effect of aluminum complexes in the ring-opening polymerization of ε-caprolactone
Authors of publication	Hsu, Chiao-Yin; Tseng, Hsi-Ching; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Wang, Li-Fang; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsing-Yin; Chen, Hsuan-Ying
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	31
Pages of publication	18851
a	11.806 ± 0.0004 Å
b	13.343 ± 0.0004 Å
c	15.4244 ± 0.0005 Å
α	90°
β	91.18 ± 0.001°
γ	90°
Cell volume	2429.25 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0543
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
194575 (current)	2017-03-29	cif/ Adding structures of 7227942 via cif-deposit CGI script.	7227942.cif