Crystallography Open Database

Information card for entry 1558587

Preview

Coordinates	1558587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Al2 O6
Calculated formula	C46 H62 Al2 O6
SMILES	C1c2c(c(cc(c2)C)C(C)(C)C)[O]2[Al](Oc3c1cc(cc3C(C)(C)C)C)(O)[O]1c3c(Cc4c(O[Al]21O)c(cc(c4)C)C(C)(C)C)cc(cc3C(C)(C)C)C
Title of publication	Binuclear aluminum Lewis acid and its behavior in the polymerization of methyl methacrylate and n-butyl acrylate
Authors of publication	Wang, Zhe; Zhang, Xianhui; Liang, Hongwen; Xian, Mo; Wang, Xiaowu
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	34
Pages of publication	5526 - 5533
a	16.1738 ± 0.0014 Å
b	11.4534 ± 0.0009 Å
c	27.691 ± 0.002 Å
α	90°
β	96.754 ± 0.002°
γ	90°
Cell volume	5094 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.2252
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
257952 (current)	2020-10-06	cif/ Updating files of 1558587 Original log message: Adding full bibliography for 1558587.cif.	1558587.cif
256187	2020-09-06	cif/ Updating files of 1558587 Original log message: Adding full bibliography for 1558587.cif.	1558587.cif
254304	2020-07-15	cif/ Adding structures of 1558587 via cif-deposit CGI script.	1558587.cif