Crystallography Open Database

Information card for entry 1548546

Preview

Coordinates	1548546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H61 N4 Sc Si
Calculated formula	C48 H61 N4 Sc Si
SMILES	[Sc]12([n]3c(=C(c4c(cc(C)cc4C)C)c4n1c(cc4C)C)c(cc3C)C)([n]1c(=C(c3n2c(C)cc3C)c2c(cc(cc2C)C)C)c(cc1C)C)C[Si](C)(C)C
Title of publication	A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins
Authors of publication	Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	5
Pages of publication	603
a	15.263 ± 0.003 Å
b	11.695 ± 0.002 Å
c	25.821 ± 0.005 Å
α	90°
β	106.57 ± 0.03°
γ	90°
Cell volume	4417.7 ± 1.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
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	0.0748
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
230958 (current)	2019-11-17	cif/ Updating files of 1548544, 1548545, 1548546, 1548547 Original log message: Adding full bibliography for 1548544--1548547.cif.	1548546.cif
204518	2017-12-26	cif/ Adding structures of 1548544, 1548545, 1548546, 1548547 via cif-deposit CGI script.	1548546.cif