Crystallography Open Database

Information card for entry 7126454

Preview

Coordinates	7126454.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NaBArF.L1
Chemical name	EI33
Formula	C52 H48 B F24 N2 Na O7
Calculated formula	C52 H48 B F24 N2 Na O7
Title of publication	Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.
Authors of publication	Iniesta, Ester; Vidal-Ferran, Anton
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	47
Pages of publication	6364 - 6367
a	12.7633 ± 0.0004 Å
b	18.502 ± 0.0006 Å
c	24.5224 ± 0.0008 Å
α	90°
β	96.5057 ± 0.001°
γ	90°
Cell volume	5753.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.2003
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253809 (current)	2020-07-06	cif/ Updating files of 7126454, 7126455, 7126456 Original log message: Adding full bibliography for 7126454--7126456.cif.	7126454.cif
251292	2020-04-30	cif/ Adding structures of 7126454, 7126455, 7126456 via cif-deposit CGI script.	7126454.cif