Crystallography Open Database

Information card for entry 1516318

Preview

Coordinates	1516318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H16 N4 O4
Calculated formula	C25 H16 N4 O4
SMILES	O=Nc1ccc(cc1)C(c1ccc(cc1)N=O)(c1ccc(cc1)N=O)c1ccc(cc1)N=O
Title of publication	Constructing monocrystalline covalent organic networks by polymerization
Authors of publication	Beaudoin, Daniel; Maris, Thierry; Wuest, James D.
Journal of publication	Nature Chemistry
Year of publication	2013
Journal volume	5
Pages of publication	830 - 834
a	18.0373 ± 0.0004 Å
b	18.0373 ± 0.0004 Å
c	18.0373 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5868.3 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
176729 (current)	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.	1516318.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1516318.cif
114553	2014-05-26	cif/ Adding structures of 1516318 via cif-deposit CGI script.	1516318.cif