Crystallography Open Database

Information card for entry 4025041

Preview

Coordinates	4025041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 N8
Calculated formula	C23 H22 N8
Title of publication	Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties
Authors of publication	En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	8595 - 8603
a	20.763 ± 0.004 Å
b	10.506 ± 0.002 Å
c	19.102 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4167 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178429 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/50.	4025041.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4025041.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025041.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4025041.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4025041.cif