Crystallography Open Database

Information card for entry 8103363

Preview

Coordinates	8103363.cif
External links	PubChem

Structure parameters

Formula	C18 H20 N2 O4
Calculated formula	C18 H20 N2 O4
Title of publication	Crystal structure of bis(4-hydroxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C18H20N2O4
Authors of publication	Wen-Kui Dong; Jiao Wang; Lan-Qin Chai; Li Zhao; Yu-Hua Yang; Li Wang; Jia Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	171
a	20.195 ± 0.002 Å
b	5.1601 ± 0.0004 Å
c	8.3019 ± 0.0007 Å
α	90°
β	100.775 ± 0.001°
γ	90°
Cell volume	849.87 ± 0.13 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	0.0754
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8103363.cif
211175	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103363.cif
176728	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.	8103363.cif
62124	2012-07-07	cif/ Adding structures of 8103363 via cif-deposit CGI script.	8103363.cif