Crystallography Open Database

Information card for entry 7218990

Preview

Coordinates	7218990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 N O2
Calculated formula	C25 H17 N O2
SMILES	O[C@@H]1[C@]2(N3C(=O)c4c(C3=CC=C2c2c1cccc2)cccc4)c1ccccc1.O[C@H]1[C@@]2(N3C(=O)c4c(C3=CC=C2c2c1cccc2)cccc4)c1ccccc1
Title of publication	Synthesis and Solid-state Fluorescence Properties of Pentacyclic 7-Substituted-indeno[1’,2’:4,5]pyrido[2,1-a]isoindol-5-ones
Authors of publication	Chamas, Zein; Marchi, Enrico; Presson, Benjamin; Aubert, Emmanuel; Fort, Yves; Ceroni, Paola; Mamane, Victor
Journal of publication	RSC Adv.
Year of publication	2014
a	10.6552 ± 0.0003 Å
b	8.1691 ± 0.0002 Å
c	20.6721 ± 0.0006 Å
α	90°
β	104.472 ± 0.003°
γ	90°
Cell volume	1742.28 ± 0.09 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	109.95 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180520 (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 7/21/89.	7218990.cif
128045	2014-12-02	cif/ Adding structures of 7218989, 7218990, 7218991 via cif-deposit CGI script.	7218990.cif