Crystallography Open Database

Information card for entry 1558937

Preview

Coordinates	1558937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 Ca O14
Calculated formula	C12 H22 Ca O14
SMILES	C(=O)([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[O-].[Ca+2].C(=O)([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[O-]
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	15.87 ± 0.015 Å
b	5.876 ± 0.003 Å
c	9.159 ± 0.005 Å
α	90°
β	99.55 ± 0.02°
γ	90°
Cell volume	842.3 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1997
Residual factor for significantly intense reflections	0.1313
Weighted residual factors for significantly intense reflections	0.2838
Weighted residual factors for all reflections included in the refinement	0.3286
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
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.	1558937.cif
255772	2020-09-01	cif/ Adding structures of 1558937, 1558938, 1558939, 1558940, 1558941, 1558942, 1558943, 1558944, 1558945, 1558946 via cif-deposit CGI script.	1558937.cif