Crystallography Open Database

Information card for entry 1506157

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Structure parameters

Formula	C17 H14 N2 O5
Calculated formula	C17 H14 N2 O5
SMILES	N1C(=O)N2C(=O)c3ccccc3C2=C1c1cc(OC)ccc1O.O
Title of publication	Synthesis and fluorescent properties of a new class of heterocycles of isoindole fused imidazoles with phenolic subunits.
Authors of publication	Das, Suven; Fröhlich, Roland; Pramanik, Animesh
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	19
Pages of publication	4263 - 4266
a	7.103 ± 0.001 Å
b	13.709 ± 0.001 Å
c	14.869 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1447.9 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1506157.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506157.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506157.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506157.cif
48045	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506157 via cif-deposit CGI script.	1506157.cif