Crystallography Open Database

Information card for entry 1557965

Preview

Coordinates	1557965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H41 Cl N O Sc Si
Calculated formula	C25 H41 Cl N O Sc Si
SMILES	C1c2ccccc2[N](C)(C)[Sc]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)[Si](C)(C)C)([O]1CCCC1)Cl
Title of publication	Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone
Authors of publication	Wang, Yang; Zhou, Chulu; Cheng, Jianhua
Journal of publication	Macromolecules
Year of publication	2020
a	14.8573 ± 0.0013 Å
b	8.7978 ± 0.0007 Å
c	20.6966 ± 0.0018 Å
α	90°
β	101.128 ± 0.001°
γ	90°
Cell volume	2654.4 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
251331 (current)	2020-04-30	cif/ Adding structures of 1557965, 1557966 via cif-deposit CGI script.	1557965.cif