Crystallography Open Database

Information card for entry 1558942

Preview

Coordinates	1558942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 N O2 Sc Si
Calculated formula	C36 H56 N O2 Sc Si
SMILES	[c]123[c]4([c]5([c]67c(c(c(c([c]16[Sc]3457(N(C(C)C)[Si]2(C)C)(Oc1c(cccc1C(C)C)C(C)C)[O]1CCCC1)C)C)C)C)C)C
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	11.597 ± 0.0001 Å
b	16.9523 ± 0.0002 Å
c	18.292 ± 0.0002 Å
α	90°
β	103.407 ± 0.001°
γ	90°
Cell volume	3498.13 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1558942.cif
255772	2020-09-01	cif/ Adding structures of 1558937, 1558938, 1558939, 1558940, 1558941, 1558942, 1558943, 1558944, 1558945, 1558946 via cif-deposit CGI script.	1558942.cif