Crystallography Open Database

Information card for entry 8103157

Preview

Coordinates	8103157.cif
External links	PubChem

Structure parameters

Chemical name	N,N'-Bis(3-ethoxy-2-hydroxybenzylidene)octane-1,8-diamine
Formula	C26 H36 N2 O4
Calculated formula	C26 H36 N2 O4
Title of publication	Crystal structure of N,N'-bis(3-ethoxy-2-hydroxy-benzylidene)-octane-1,8-diamine, C26H36N2O4
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	327
a	6.9046 ± 0.0012 Å
b	6.9097 ± 0.0012 Å
c	12.981 ± 0.002 Å
α	90.123 ± 0.004°
β	101.625 ± 0.004°
γ	101.53 ± 0.004°
Cell volume	593.78 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	8103157.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.	8103157.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103157.cif
29143	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103157 via cif-deposit CGI script.	8103157.cif