Crystallography Open Database

Information card for entry 1545420

Preview

Coordinates	1545420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H44 N O Sc Si2
Calculated formula	C31 H44 N O Sc Si2
SMILES	[Sc]1(C2(c3c(c4ccccc24)cccc3)Cc2cccc[n]12)(C[Si](C)(C)C)(C[Si](C)(C)C)[O]1CCCC1
Title of publication	Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism
Authors of publication	Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo
Journal of publication	Macromolecules
Year of publication	2017
Journal volume	50
Journal issue	3
Pages of publication	849
a	9.3221 ± 0.0008 Å
b	14.4831 ± 0.0012 Å
c	11.779 ± 0.001 Å
α	90°
β	99.289 ± 0.002°
γ	90°
Cell volume	1569.5 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
193325 (current)	2017-03-04	cif/ Adding structures of 1545420 via cif-deposit CGI script.	1545420.cif