Crystallography Open Database

Information card for entry 1516474

Preview

Coordinates	1516474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H43 N2 O Si Y
Calculated formula	C24 H43 N2 O Si Y
SMILES	[Y]123456([N]7([C@H]8[CH]1=[CH]2C3[C@@H]7CC8)C)([N]1([C@H]2[CH]4=[CH]5C6[C@@H]1CC2)C)([O]1CCCC1)C[Si](C)(C)C
Title of publication	Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene
Authors of publication	Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang
Journal of publication	Macromolecules
Year of publication	2014
Journal volume	47
Journal issue	11
Pages of publication	3567
a	14.4575 ± 0.0011 Å
b	16.6903 ± 0.0013 Å
c	10.454 ± 0.0009 Å
α	90°
β	95.093 ± 0.001°
γ	90°
Cell volume	2512.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0514
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516474.cif
119228	2014-07-05	cif/ Updating files of 1516474, 1516475, 1516476 Original log message: Adding full bibliography for 1516474--1516476.cif.	1516474.cif
115392	2014-06-03	cif/ Adding structures of 1516474 via cif-deposit CGI script.	1516474.cif