Crystallography Open Database

Information card for entry 7219450

7219449 << 7219450 >> 7219451

Preview

Coordinates	7219450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O4 S
Calculated formula	C24 H21 N O4 S
SMILES	S(=O)(C)C.O1C(=O)c2c(c3n(c4ccc(cc4)C)c4c(c(O)ccc4)c13)cccc2
Title of publication	Synthesis of 4-Hydroxyindole Fused Isocoumarin Derivatives and Their Fluorescence “Turn-Off” Sensing Cu(II) Ions
Authors of publication	Pramanik, Animesh; Pathak, Sudipta; Das, Doyel; Kundu, Ashis; Maity, Subhendu; Guchhait, Nikhil
Journal of publication	RSC Adv.
Year of publication	2015
a	9.8359 ± 0.0007 Å
b	9.899 ± 0.0007 Å
c	11.8318 ± 0.0008 Å
α	98.474 ± 0.002°
β	91.399 ± 0.002°
γ	112.007 ± 0.002°
Cell volume	1052.42 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2455
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180525 (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 7/21/94.	7219450.cif
130283	2015-02-03	cif/ Adding structures of 7219448, 7219449, 7219450, 7219451, 7219452 via cif-deposit CGI script.	7219450.cif