Crystallography Open Database

Information card for entry 1558940

Preview

Coordinates	1558940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H58 N O2 Sc Si
Calculated formula	C37 H58 N O2 Sc Si
Title of publication	l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes
Authors of publication	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	39
Pages of publication	6308 - 6318
a	15.2108 ± 0.0001 Å
b	24.5048 ± 0.0002 Å
c	9.7034 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3616.82 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258992 (current)	2020-11-06	cif/ Updating files of 1558937, 1558938, 1558939, 1558940, 1558941, 1558942, 1558943, 1558944, 1558945, 1558946 Original log message: Adding full bibliography for 1558937--1558946.cif.	1558940.cif
255772	2020-09-01	cif/ Adding structures of 1558937, 1558938, 1558939, 1558940, 1558941, 1558942, 1558943, 1558944, 1558945, 1558946 via cif-deposit CGI script.	1558940.cif