Crystallography Open Database

Information card for entry 1502978

Preview

Coordinates	1502978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6
Calculated formula	C18 H6
Title of publication	Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.
Authors of publication	Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	2346 - 2349
a	10.4772 ± 0.0017 Å
b	10.4772 ± 0.0017 Å
c	19.925 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1894.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
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.	1502978.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502978.cif
36916	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502975, 1502976, 1502977, 1502978 via cif-deposit CGI script.	1502978.cif