Crystallography Open Database

Information card for entry 7126268

Preview

Coordinates	7126268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12.67 N0.67 O1.33
Calculated formula	C10 H12.6667 N0.666667 O1.33333
Title of publication	Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.
Authors of publication	Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	35
Pages of publication	4844 - 4847
a	17.8343 ± 0.0006 Å
b	12.4405 ± 0.0004 Å
c	13.0921 ± 0.0005 Å
α	90°
β	107.301 ± 0.004°
γ	90°
Cell volume	2773.29 ± 0.18 Å³
Cell temperature	110.05 ± 0.1 K
Ambient diffraction temperature	110.05 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251582 (current)	2020-05-05	cif/ Updating files of 7126266, 7126267, 7126268, 7126269, 7126270 Original log message: Adding full bibliography for 7126266--7126270.cif.	7126268.cif
249714	2020-03-26	cif/ Adding structures of 7126266, 7126267, 7126268, 7126269, 7126270 via cif-deposit CGI script.	7126268.cif