Crystallography Open Database

Information card for entry 7127395

Preview

Coordinates	7127395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H59 Al N2 O3
Calculated formula	C56 H59 Al N2 O3
SMILES	[Al]123(Oc4c(cccc4C[N]41CCC[C@@H]4[C@H]1CCC[N]21CC(c1ccccc1)(c1ccccc1)O3)c1ccccc1)OCc1ccccc1.c1(ccccc1)C.Cc1ccccc1
Title of publication	Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.
Authors of publication	Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	88
Pages of publication	13528 - 13531
a	10.2589 ± 0.0004 Å
b	10.8028 ± 0.0004 Å
c	11.3273 ± 0.0004 Å
α	100.728 ± 0.002°
β	97.616 ± 0.002°
γ	109.85 ± 0.002°
Cell volume	1133.8 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
260634 (current)	2021-01-07	cif/ Updating files of 7127394, 7127395 Original log message: Adding full bibliography for 7127394--7127395.cif.	7127395.cif
258240	2020-10-08	cif/ Adding structures of 7127394, 7127395 via cif-deposit CGI script.	7127395.cif