Crystallography Open Database

Information card for entry 1548723

Preview

Coordinates	1548723.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1
Formula	C26 H49 O3 Sc Si2
Calculated formula	C26 H49 O3 Sc Si2
SMILES	[Sc]1234(C[Si](C)(C)C)([cH]5[cH]2[c]23[C@H]([C@H]3OC(O[C@@H]3[C@@H]([c]24[cH]15)C)(C)C)C)([O]1CCCC1)C[Si](C)(C)C
Title of publication	Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents
Authors of publication	Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	8
Pages of publication	984
a	8.2245 ± 0.0016 Å
b	17.776 ± 0.004 Å
c	10.845 ± 0.002 Å
α	90°
β	109.79 ± 0.03°
γ	90°
Cell volume	1491.9 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
230957 (current)	2019-11-17	cif/ Updating files of 1548723, 1548724, 1548725 Original log message: Adding full bibliography for 1548723--1548725.cif.	1548723.cif
205399	2018-01-19	cif/ Adding structures of 1548723, 1548724, 1548725 via cif-deposit CGI script.	1548723.cif