Crystallography Open Database

Information card for entry 7219448

7219447 << 7219448 >> 7219449

Preview

Coordinates	7219448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N2 O3
Calculated formula	C28.5714 H23.4286 N1.71429 O3.42857
SMILES	c12c3ccccc3C(=O)Oc1c1C(=O)CCCc1n2Cc1ccccc1.Nc1ccccc1.c12c3ccccc3C(=O)Oc1c1C(=O)CCCc1n2Cc1ccccc1
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	20.4475 ± 0.0013 Å
b	14.4995 ± 0.001 Å
c	13.927 ± 0.0009 Å
α	90°
β	106.072 ± 0.002°
γ	90°
Cell volume	3967.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7219448.cif
130283	2015-02-03	cif/ Adding structures of 7219448, 7219449, 7219450, 7219451, 7219452 via cif-deposit CGI script.	7219448.cif