Crystallography Open Database

Information card for entry 1566791

Preview

Coordinates	1566791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H63 In N2 O3
Calculated formula	C38 H63 In N2 O3
SMILES	[In]123(Oc4c(C[N]2(CC[N]3(C)Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc4C(C)(C)C)C(C)(C)C)OC(C)(C)C
Title of publication	Combining high activity with broad monomer scope: indium salan catalysts in the ring-opening polymerization of various cyclic esters
Authors of publication	Bruckmoser, Jonas; Henschel, Daniel; Vagin, Sergei; Rieger, Bernhard
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	10
Pages of publication	3295 - 3302
a	11.4082 ± 0.0016 Å
b	13.035 ± 0.002 Å
c	14.939 ± 0.002 Å
α	66.497 ± 0.006°
β	68.941 ± 0.006°
γ	83.213 ± 0.007°
Cell volume	1900.3 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
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
275778 (current)	2022-06-06	cif/ Updating files of 1566791 Original log message: Adding full bibliography for 1566791.cif.	1566791.cif
274508	2022-04-14	cif/ Adding structures of 1566791 via cif-deposit CGI script.	1566791.cif