Crystallography Open Database

Information card for entry 7239955

Preview

Coordinates	7239955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 N4 O
Calculated formula	C39 H30 N2 O3
SMILES	O=C1c2c(N(c3ccc(c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)c3c1cccc3)cccc2
Title of publication	N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission
Authors of publication	Liu, Renfei; Zhu, Guanxing; Zhang, Gang
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	12
Pages of publication	7092 - 7098
a	9.8465 ± 0.0008 Å
b	12.7204 ± 0.001 Å
c	13.4275 ± 0.001 Å
α	69.672 ± 0.002°
β	71.642 ± 0.002°
γ	77.107 ± 0.002°
Cell volume	1484.5 ± 0.2 Å³
Cell temperature	296.36 K
Ambient diffraction temperature	296.36 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	0.1916
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258145 (current)	2020-10-06	cif/ Updating files of 7239954, 7239955, 7239956 Original log message: Adding full bibliography for 7239954--7239956.cif.	7239955.cif
248261	2020-02-18	cif/ Adding structures of 7239954, 7239955, 7239956 via cif-deposit CGI script.	7239955.cif