Crystallography Open Database

Information card for entry 1515624

Preview

Coordinates	1515624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C154 H167 N6 O63.5 S10
Calculated formula	C154 H116 N6 O63.5 S10
Title of publication	Operational calixarene-based fluorescent sensing systems for choline and acetylcholine and their application to enzymatic reactions
Authors of publication	Guo, Dong-Sheng; Uzunova, Vanya D.; Su, Xin; Liu, Yu; Nau, Werner M.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	9
Pages of publication	1722
a	29.168 ± 0.006 Å
b	27.741 ± 0.006 Å
c	20.935 ± 0.004 Å
α	90°
β	114.17 ± 0.03°
γ	90°
Cell volume	15455 ± 7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1952
Residual factor for significantly intense reflections	0.1235
Weighted residual factors for significantly intense reflections	0.3175
Weighted residual factors for all reflections included in the refinement	0.3744
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515624.cif
111887	2014-04-28	cif/ Adding structures of 1515624 via cif-deposit CGI script.	1515624.cif