Crystallography Open Database

Information card for entry 1506024

Preview

Coordinates	1506024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 Br3 O6
Calculated formula	C44 H28 Br3 O6
Title of publication	Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.
Authors of publication	Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	14
Pages of publication	2941 - 2944
a	34.6386 ± 0.0016 Å
b	10.9975 ± 0.0007 Å
c	18.8602 ± 0.0009 Å
α	90°
β	98.613 ± 0.001°
γ	90°
Cell volume	7103.5 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	1506024.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506024.cif
47933	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506020, 1506021, 1506022, 1506023, 1506024 via cif-deposit CGI script.	1506024.cif