Crystallography Open Database

Information card for entry 1549220

Preview

Coordinates	1549220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 N S
Calculated formula	C25 H18 N S
SMILES	s1c(c2nc3c(c4c(cccc4)CC3)c3c2c2c(CC3)cccc2)ccc1
Title of publication	Development of paper-based chemosensor for the detection of mercury ions using mono- and tetra-sulfur bearing phenanthridines
Authors of publication	Ponram, Marimuthu; Balijapalli, Umamahesh; Sambath, Baskaran; Iyer, Sathiyanarayanan Kulathu; B, Venkatachalapathy; Cingaram, Ravichandran; Natesan Sundaramurthy, Karthikeyan
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8530
a	9.6247 ± 0.0005 Å
b	15.2549 ± 0.0008 Å
c	12.526 ± 0.0009 Å
α	90°
β	95.154 ± 0.005°
γ	90°
Cell volume	1831.68 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.224
Weighted residual factors for all reflections included in the refinement	0.2635
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230539 (current)	2019-11-17	cif/ Updating files of 1549220 Original log message: Adding full bibliography for 1549220.cif.	1549220.cif
207248	2018-04-06	cif/ Adding structures of 1549220 via cif-deposit CGI script.	1549220.cif