Crystallography Open Database

Information card for entry 7219449

7219448 << 7219449 >> 7219450

Preview

Coordinates	7219449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 N O3
Calculated formula	C22 H19 N O3
SMILES	O=C1Oc2c(n(Cc3ccccc3)c3c2C(O)CCC3)c2ccccc12
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	13.5527 ± 0.0018 Å
b	8.744 ± 0.0012 Å
c	14.7881 ± 0.0019 Å
α	90°
β	104.612 ± 0.004°
γ	90°
Cell volume	1695.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0881
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.2021
Weighted residual factors for all reflections included in the refinement	0.2143
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	7219449.cif
130283	2015-02-03	cif/ Adding structures of 7219448, 7219449, 7219450, 7219451, 7219452 via cif-deposit CGI script.	7219449.cif