Crystallography Open Database

Information card for entry 7221009

Preview

Coordinates	7221009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34.5 Cl N2 O4.75
Calculated formula	C33 H31 Cl N2 O4.75
Title of publication	Tetraphenylethylene Imidazolium Macrocycle: Synthesis and Selective Fluorescence Turn-On Sensing of Pyrophosphate Anion
Authors of publication	Wang, Jinhua; Zheng, Yan-Song; Xiong, Jia-Bin; Zhang, Xing; Song, Song; Zhu, Zhi-Hua
Journal of publication	RSC Adv.
Year of publication	2015
a	33.698 ± 0.007 Å
b	8.9588 ± 0.0018 Å
c	10.793 ± 0.002 Å
α	90°
β	107.81 ± 0.03°
γ	90°
Cell volume	3102.2 ± 1.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2138
Weighted residual factors for all reflections included in the refinement	0.227
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7221009.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221009.cif
139996	2015-07-04	cif/ Adding structures of 7221009 via cif-deposit CGI script.	7221009.cif