Crystallography Open Database

Information card for entry 7216106

Preview

Coordinates	7216106.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate
Chemical name	9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate
Formula	C23 H19.5 N0.5 O3
Calculated formula	C23 H18 N0.5 O3
Title of publication	Inclusion compounds of isomeric xanthenol hosts with aniline
Authors of publication	Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	120
Pages of publication	731
a	8.4657 ± 0.0017 Å
b	9.1803 ± 0.0018 Å
c	12.904 ± 0.003 Å
α	95.69 ± 0.03°
β	99.32 ± 0.03°
γ	112.12 ± 0.03°
Cell volume	902.6 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.1033
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7216106.cif
114346	2014-05-23	cif/ Adding structures of 7216106, 7216107 via cif-deposit CGI script.	7216106.cif