Crystallography Open Database

Information card for entry 7053816

Preview

Coordinates	7053816.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9-(4-methoxyphenyl)-9H-xanthen-9-ol 1-naphthylamine clathrate
Formula	C25 H20 N0.5 O3
Calculated formula	C25 H20 N0.5 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	8.4231 ± 0.0017 Å
b	9.0634 ± 0.0018 Å
c	13.014 ± 0.003 Å
α	96.6 ± 0.03°
β	91.87 ± 0.03°
γ	109.87 ± 0.03°
Cell volume	925.4 ± 0.4 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	0.1471
Residual factor for significantly intense reflections	0.1109
Weighted residual factors for significantly intense reflections	0.3526
Weighted residual factors for all reflections included in the refinement	0.3939
Goodness-of-fit parameter for all reflections included in the refinement	1.583
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053816.cif
96644	2014-01-29	cif/ Adding structures of 7053814, 7053815, 7053816, 7053817 via cif-deposit CGI script.	7053816.cif