Crystallography Open Database

Information card for entry 7127743

Preview

Coordinates	7127743.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	YP salphLAl(oCHCA-OiPr)
Formula	C137 H179 Al3 N6 O15
Calculated formula	C137 H179 Al3 N6 O15
Title of publication	Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.
Authors of publication	Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	90
Pages of publication	14027 - 14030
a	22.7869 ± 0.0007 Å
b	30.5983 ± 0.0009 Å
c	21.2437 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	14812 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2174
Weighted residual factors for all reflections included in the refinement	0.2518
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260464 (current)	2021-01-04	cif/ Adding structures of 7127740, 7127741, 7127742, 7127743 via cif-deposit CGI script.	7127743.cif