Crystallography Open Database

Information card for entry 7706545

Preview

Coordinates	7706545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H66 Ca N2 O4
Calculated formula	C46 H66 Ca N2 O4
Title of publication	Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.
Authors of publication	Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	9
Pages of publication	3178 - 3185
a	21.5853 ± 0.0005 Å
b	19.8516 ± 0.0005 Å
c	11.09 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4752.1 ± 0.2 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2181
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263760 (current)	2021-04-05	cif/ Updating files of 7706544, 7706545, 7706546, 7706547, 7706548, 7706549 Original log message: Adding full bibliography for 7706544--7706549.cif.	7706545.cif
261378	2021-02-03	cif/ Adding structures of 7706544, 7706545, 7706546, 7706547, 7706548, 7706549 via cif-deposit CGI script.	7706545.cif