Crystallography Open Database

Information card for entry 7158200

Preview

Coordinates	7158200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H29 Cl6 N3 O2
Calculated formula	C36 H29 Cl6 N3 O2
SMILES	ClC(Cl)Cl.ClC(Cl)Cl.O=C1c2c(N(c3ccc(cc3)C(C)(C)C)c3c1c1nc4c(nc1c(OC)c3)cc1c(c4)cccc1)cccc2
Title of publication	Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.
Authors of publication	Ding, Weiwei; Zhang, Gang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	32
Pages of publication	6985 - 6989
a	11.5804 ± 0.0004 Å
b	12.1813 ± 0.0006 Å
c	12.9925 ± 0.0005 Å
α	101.203 ± 0.004°
β	101.376 ± 0.003°
γ	103.039 ± 0.003°
Cell volume	1694.85 ± 0.13 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
268928 (current)	2021-09-06	cif/ Updating files of 7158198, 7158199, 7158200 Original log message: Adding full bibliography for 7158198--7158200.cif.	7158200.cif
267813	2021-07-29	cif/ Adding structures of 7158198, 7158199, 7158200 via cif-deposit CGI script.	7158200.cif