Crystallography Open Database

Information card for entry 7160049

Preview

Coordinates	7160049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 N4 O2
Calculated formula	C32 H24 N4 O2
Title of publication	A mild synthetic route to α-nitroso diaryl pyrroles.
Authors of publication	Brown, Emily B.; Gapare, Rosinah Liandrah; Campbell, Jacob W.; Alkaş, Adil; Sequeira, Steve; Hilborn, James W.; Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	30
Pages of publication	6122 - 6128
a	9.4686 ± 0.0003 Å
b	9.5459 ± 0.0004 Å
c	14.1712 ± 0.0005 Å
α	90.7407 ± 0.0019°
β	94.8288 ± 0.0017°
γ	107.163 ± 0.0016°
Cell volume	1218.54 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293941 (current)	2024-08-05	cif/ Updating files of 7160049, 7160050 Original log message: Adding full bibliography for 7160049--7160050.cif.	7160049.cif
293418	2024-07-16	cif/ Adding structures of 7160049, 7160050 via cif-deposit CGI script.	7160049.cif