Crystallography Open Database

Information card for entry 7053817

Preview

Coordinates	7053817.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9-(4-methoxyphenyl)-9H-xanthen-9-ol triethylenediamine clathrate
Formula	C23 H22 N O3
Calculated formula	C23 H22 N O3
Title of publication	Enclathration by a xanthenol host via solid‒solid reactions: structures and kinetics
Authors of publication	Jacobs, Ayesha; Nassimbeni, Luigi R.; Nohako, Kanyisa L.; Ramon, Gaelle; Taljaard, Jana H.
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	9
Pages of publication	1960
a	9.0572 ± 0.0018 Å
b	9.6751 ± 0.0019 Å
c	10.501 ± 0.002 Å
α	88.56 ± 0.03°
β	83.74 ± 0.03°
γ	85.45 ± 0.03°
Cell volume	911.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0538
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
180092 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38.	7053817.cif
96644	2014-01-29	cif/ Adding structures of 7053814, 7053815, 7053816, 7053817 via cif-deposit CGI script.	7053817.cif