Crystallography Open Database

Information card for entry 1502976

Preview

Coordinates	1502976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 O8
Calculated formula	C36 H24 O8
SMILES	O(CC1=CC#CC#CC=C(C#CC#CC(=CC#CC#CC=C(C#CC#C1)COC(=O)C)COC(=O)C)COC(=O)C)C(=O)C
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	12.4522 ± 0.0009 Å
b	12.4742 ± 0.0009 Å
c	19.6932 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3059 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1502976.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502976.cif
36916	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502975, 1502976, 1502977, 1502978 via cif-deposit CGI script.	1502976.cif