Crystallography Open Database

Information card for entry 1518611

Preview

Coordinates	1518611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16
Calculated formula	C24 H16
SMILES	c1(cccc2c3ccccc3c3ccccc3c12)c1ccccc1
Title of publication	C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C
Authors of publication	Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	3
Pages of publication	1816
a	19.1157 ± 0.0009 Å
b	5.7556 ± 0.0003 Å
c	29.6669 ± 0.0011 Å
α	90°
β	108.002 ± 0.003°
γ	90°
Cell volume	3104.2 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	2
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	0.0792
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1518611.cif
133122	2015-03-06	cif/ Updating files of 1518610, 1518611 Original log message: Adding full bibliography for 1518610--1518611.cif.	1518611.cif
130278	2015-02-03	cif/ Adding structures of 1518610, 1518611 via cif-deposit CGI script.	1518611.cif