Crystallography Open Database

Information card for entry 7219227

7219226 << 7219227 >> 7219228

Preview

Coordinates	7219227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N O4
Calculated formula	C23 H21 N O4
SMILES	O=C1CC(C)(CC2=C1[C@@]1(O)[C@@](O)(N2c2ccccc2)c2c(cccc2)C1=O)C
Title of publication	Synthesis of indeno and acenaphtho core containing dihydroxy indolone, pyrrole, coumarin and uracil fused heterocyclic motifs under sustainable condition exploring the catalytic role of SnO2 quantum dot
Authors of publication	Das, Asish R.; Pradhan, Koyel; Paul, Sanjay
Journal of publication	RSC Adv.
Year of publication	2015
a	10.6419 ± 0.0019 Å
b	16.053 ± 0.003 Å
c	10.709 ± 0.002 Å
α	90°
β	90.097 ± 0.008°
γ	90°
Cell volume	1829.5 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
180523 (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 7/21/92.	7219227.cif
129424	2015-01-07	cif/ Adding structures of 7219227, 7219228 via cif-deposit CGI script.	7219227.cif