Crystallography Open Database

Information card for entry 7152885

Preview

Coordinates	7152885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 F24 N10 O P4
Calculated formula	C68 H56 F24 N10 O P4
Title of publication	Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.
Authors of publication	Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	20
Pages of publication	3375 - 3381
a	9.6585 ± 0.0004 Å
b	25.7091 ± 0.0012 Å
c	14.0835 ± 0.0007 Å
α	90°
β	92.542 ± 0.002°
γ	90°
Cell volume	3493.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.2034
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.2533
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180314 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/28.	7152885.cif
86210	2013-05-09	cif/ Adding structures of 7152884, 7152885, 7152886, 7152887 via cif-deposit CGI script.	7152885.cif