Crystallography Open Database

Information card for entry 1520957

1520956 << 1520957 >> 1520958

Preview

Coordinates	1520957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 In N3 O3
Calculated formula	C42 H58 In N3 O3
SMILES	C1=[N]2[C@H]3[C@@H](CCCC3)[N]3=Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[In]423([n]2c(CO4)cccc2)Oc2c1cc(cc2C(C)(C)C)C(C)(C)C
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	9.192 ± 0.002 Å
b	16.465 ± 0.004 Å
c	25.858 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3913.5 ± 1.6 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	5
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	0.0388
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	1520957.cif
140548	2015-07-07	cif/ Adding structures of 1520954, 1520955, 1520956, 1520957, 1520958 via cif-deposit CGI script.	1520957.cif