Crystallography Open Database

Information card for entry 1520958

1520957 << 1520958 >> 1520959

Preview

Coordinates	1520958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H58 In N3 O3 Si2
Calculated formula	C64 H58 In N3 O3 Si2
SMILES	[In]1234(Oc5c(C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc(c3)C)CCCC2)cc(cc5[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C)OCc1[n]4cccc1
Title of publication	Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization
Authors of publication	Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	9
Pages of publication	5284
a	12.019 ± 0.005 Å
b	20.066 ± 0.009 Å
c	23.278 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	5614 ± 4 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0647
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	0.722
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
171002 (current)	2015-12-09	cif/ Updating files of 1520954, 1520955, 1520956, 1520957, 1520958 Original log message: Adding full bibliography for 1520954--1520958.cif.	1520958.cif
140548	2015-07-07	cif/ Adding structures of 1520954, 1520955, 1520956, 1520957, 1520958 via cif-deposit CGI script.	1520958.cif