Crystallography Open Database

Information card for entry 4026005

Preview

Coordinates	4026005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 O7
Calculated formula	C45 H43.99 O7
Title of publication	Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles
Authors of publication	Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	971 - 973
a	15.849 ± 0.005 Å
b	15.849 ± 0.005 Å
c	26.95 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	5863 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.24
Weighted residual factors for all reflections included in the refinement	0.2405
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178439 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/60.	4026005.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026005.cif
37414	2012-03-02	../uploads/cif-deposit/cod/cif Adding structures of 4026005 via cif-deposit CGI script.	4026005.cif