Crystallography Open Database

Information card for entry 7158298

Preview

Coordinates	7158298.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone
Chemical name	1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone
Formula	C31 H31 N7 O9 S2
Calculated formula	C31 H31 N7 O9 S2
Title of publication	Acridinone-based anion transporters.
Authors of publication	McNaughton, Daniel A.; Macreadie, Lauren K.; Gale, Philip A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	44
Pages of publication	9659 - 9674
a	11.069 ± 0.002 Å
b	19.863 ± 0.004 Å
c	14.418 ± 0.003 Å
α	90°
β	93.29 ± 0.03°
γ	90°
Cell volume	3164.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.1079
Weighted residual factors for significantly intense reflections	0.3095
Weighted residual factors for all reflections included in the refinement	0.3192
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271208 (current)	2021-12-07	cif/ Updating files of 7158298 Original log message: Adding full bibliography for 7158298.cif.	7158298.cif
269124	2021-09-14	cif/ Adding structures of 7158298 via cif-deposit CGI script.	7158298.cif