Crystallography Open Database

Information card for entry 8102083

8102082 << 8102083 >> 8102084

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Coordinates	8102083.cif

Structure parameters

Chemical name	2,2'-[(1,4-butane)dioxybis(nitrilomethylidyne)]dinaphthol
Formula	C26 H24 N2 O4
Calculated formula	C26 H24 N2 O4
Title of publication	Crystal structure of 2,2'-((1,4-butylene)dioxybis(nitrilo-methylidyne)) dinaphthol, C~26~H~24~N~2~O~4~
Authors of publication	Dong, W.-K.; Duan, J.-G.; Wu, H.-L.; Shi, J.-Y.; Yu, T.-Z.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	4
Pages of publication	555 - 556
a	5.611 ± 0.002 Å
b	11.723 ± 0.002 Å
c	16.636 ± 0.003 Å
α	90°
β	95.432 ± 0.002°
γ	90°
Cell volume	1089.4 ± 0.5 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	0.0837
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	8102083.cif
108008	2014-03-26	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102083.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102083.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	8102083.cif
16262	2011-03-21	cif/8/ Deleting unicode symbols near the numeric temperature values.	8102083.cif
12822	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102083 via cif-deposit CGI script.	8102083.cif