Crystallography Open Database

Information card for entry 1559115

Preview

Coordinates	1559115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H85 In N2 O5 P2
Calculated formula	C57 H85 In N2 O5 P2
SMILES	c12c(cc(cc1C(C)(C)C)C(C)(C)C)[P@@](C(C)(C)C)(c1ccccc1)=[N]1CC[N]3=[P@@](C(C)(C)C)(c4ccccc4)c4cc(cc(c4O[In]413(O2)O[C@H](C)C(=[O]4)OC(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations
Authors of publication	Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.
Journal of publication	Catalysis Science & Technology
Year of publication	2020
Journal volume	10
Journal issue	21
Pages of publication	7226 - 7239
a	11.128 ± 0.0001 Å
b	18.2363 ± 0.0002 Å
c	30.9376 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6278.28 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
259602 (current)	2020-12-06	cif/ Updating files of 1559113, 1559114, 1559115, 1559116, 1559117, 1559118 Original log message: Adding full bibliography for 1559113--1559118.cif.	1559115.cif
256547	2020-09-19	cif/ Adding structures of 1559113, 1559114, 1559115, 1559116, 1559117, 1559118 via cif-deposit CGI script.	1559115.cif