Crystallography Open Database

Information card for entry 1514367

Preview

Coordinates	1514367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H38 Cl2 N4 O3
Calculated formula	C37 H38 Cl2 N4 O3
SMILES	c1(c(cc(cc1/C=N/CCN1C(=O)c2ccccc2C21c1ccc(cc1Oc1cc(ccc21)N(CC)CC)N(CC)CC)Cl)Cl)O
Title of publication	A dual channel optical detector for trace water chemodosimetry and imaging of live cells.
Authors of publication	Men, Guangwen; Zhang, Guirong; Liang, Chunshuang; Liu, Huiling; Yang, Bing; Pan, Yuyu; Wang, Zhenyu; Jiang, Shimei
Journal of publication	The Analyst
Year of publication	2013
Journal volume	138
Journal issue	10
Pages of publication	2847 - 2857
a	13.066 ± 0.005 Å
b	9.757 ± 0.003 Å
c	29.525 ± 0.011 Å
α	90°
β	116 ± 0.017°
γ	90°
Cell volume	3383 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1917
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514367.cif
109991	2014-04-18	cif/ Adding structures of 1514367 via cif-deposit CGI script.	1514367.cif