Crystallography Open Database

Information card for entry 1506224

Preview

Coordinates	1506224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H25 Cl Cu F12 N8 P2
Calculated formula	C24.5 H25 Cl Cu F12 N8 P2
Title of publication	Methylazacalix[4]pyridine: en route to Zn2±specific fluoresence sensors.
Authors of publication	Gong, Han-Yuan; Zheng, Qi-Yu; Zhang, Xiao-Hang; Wang, De-Xian; Wang, Mei-Xiang
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	21
Pages of publication	4895 - 4898
a	17.351 ± 0.004 Å
b	23.605 ± 0.005 Å
c	14.941 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6119 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	0.694
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.	1506224.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506224.cif
48104	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506224 via cif-deposit CGI script.	1506224.cif