Crystallography Open Database

Information card for entry 7228959

Preview

Coordinates	7228959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 F2 N2 O2
Calculated formula	C20 H20 F2 N2 O2
SMILES	Oc1c(cccc1F)/C=N/[C@H]1CCCC[C@@H]1/N=C/c1cccc(F)c1O.Oc1c(cccc1F)/C=N/[C@@H]1CCCC[C@H]1/N=C/c1cccc(F)c1O
Title of publication	Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications
Authors of publication	Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	64
Pages of publication	40640
a	10.4661 ± 0.0004 Å
b	11.0082 ± 0.0005 Å
c	17.6201 ± 0.0005 Å
α	95.216 ± 0.003°
β	96.508 ± 0.003°
γ	110.291 ± 0.004°
Cell volume	1873.25 ± 0.14 Å³
Cell temperature	293.28 ± 0.1 K
Ambient diffraction temperature	293.28 ± 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	0.0605
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
203412 (current)	2017-11-21	cif/7 Fixing Z values and formulae accordingly.	7228959.cif
199896	2017-08-23	cif/ Adding structures of 7228957, 7228958, 7228959, 7228960, 7228961 via cif-deposit CGI script.	7228959.cif