Crystallography Open Database

Information card for entry 7217010

Preview

Coordinates	7217010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 N4 O2
Calculated formula	C35 H38 N4 O2
SMILES	O1c2cc(N(CC)CC)ccc2C2(N(C(=O)c3c2cccc3)CCc2ncccc2)c2ccc(N(CC)CC)cc12
Title of publication	Switching selectivity between Pb2+ and Hg+2 ions through variation of substituents at xanthene end; ‘turn-on’ signalling responses by FRET modulation
Authors of publication	Biswal, Biswonath; Bag, Bamaprasad
Journal of publication	RSC Advances
Year of publication	2014
a	13.399 ± 0.0016 Å
b	15.3179 ± 0.0018 Å
c	13.9012 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2853.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.188
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.1827
Weighted residual factors for all reflections included in the refinement	0.2291
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180501 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217010.cif
118889	2014-07-02	cif/ Adding structures of 7217010 via cif-deposit CGI script.	7217010.cif