Crystallography Open Database

Information card for entry 4119047

4119046 << 4119047 >> 4119048

Preview

Coordinates	4119047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H168 N6 O6 P4 Y2
Calculated formula	C114 H144 N6 O6 P4 Y2
Title of publication	Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities
Authors of publication	Clare Bakewell; Thi-Phuong-Anh Cao; Nicholas Long; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	20577 - 20580
a	27.529 ± 0.001 Å
b	28.356 ± 0.001 Å
c	18.325 ± 0.001 Å
α	90°
β	124.463 ± 0.001°
γ	90°
Cell volume	11794.1 ± 0.9 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178961 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/90.	4119047.cif
76621	2013-03-20	cif/ Adding structures of 4119047 via cif-deposit CGI script.	4119047.cif