Crystallography Open Database

Information card for entry 7240160

Preview

Coordinates	7240160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl7 N O2
Calculated formula	C30 H26 Cl7 N O2
SMILES	O(c1cccc2[n+](c3c(c(c12)c1c(cccc1)C)c(OC)ccc3)c1ccccc1)C.ClC(Cl)Cl.ClC(Cl)Cl.[Cl-]
Title of publication	Efficient iron catalyzed ligand-free access to acridines and acridinium ions
Authors of publication	Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	10
Pages of publication	3178 - 3185
a	10.1043 ± 0.0008 Å
b	12.8257 ± 0.0009 Å
c	12.9176 ± 0.0009 Å
α	90°
β	104.397 ± 0.008°
γ	90°
Cell volume	1621.5 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2242
Weighted residual factors for all reflections included in the refinement	0.2535
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257572 (current)	2020-10-06	cif/ Updating files of 7240160, 7240161 Original log message: Adding full bibliography for 7240160--7240161.cif.	7240160.cif
252844	2020-06-05	cif/ Updating files of 7240160, 7240161 Original log message: Adding full bibliography for 7240160--7240161.cif.	7240160.cif
249648	2020-03-24	cif/ Adding structures of 7240160, 7240161 via cif-deposit CGI script.	7240160.cif