Crystallography Open Database

Information card for entry 8102164

Preview

Coordinates	8102164.cif

Structure parameters

Chemical name	2,2'-[(1,4-butylene)dioxybis(nitrilomethylidyne)]diphenol
Formula	C18 H20 N2 O4
Calculated formula	C18 H20 N2 O4
Title of publication	Crystal structure of 2,2'-((1,4-butylene)dioxybis(nitrilomethylidyne)) diphenol, C~18~H~20~N~2~O~4~
Authors of publication	Dong, Wen-Kui; Duan, Jin-Gui; Dong, Chen-Ming; Ren, Zong-Li; Shi, Jun-Yan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	3
Pages of publication	327 - 328
a	8.633 ± 0.0014 Å
b	5.885 ± 0.0012 Å
c	16.492 ± 0.002 Å
α	90°
β	96.2 ± 0.002°
γ	90°
Cell volume	833 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0942
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
176728 (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 8.	8102164.cif
108388	2014-03-31	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102164.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102164.cif
12903	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102164 via cif-deposit CGI script.	8102164.cif