Crystallography Open Database

Information card for entry 1505748

Preview

Coordinates	1505748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 Cu N O2
Calculated formula	C22 H27 Cu N O2
Title of publication	Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.
Authors of publication	Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun
Journal of publication	The journal of physical chemistry. B
Year of publication	2006
Journal volume	110
Journal issue	42
Pages of publication	21365 - 21370
a	10.3633 ± 0.0007 Å
b	14.4094 ± 0.0009 Å
c	13.5082 ± 0.0007 Å
α	90°
β	107.873 ± 0.004°
γ	90°
Cell volume	1919.8 ± 0.2 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	0.919
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505748.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505748.cif
47697	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505748 via cif-deposit CGI script.	1505748.cif