Crystallography Open Database

Information card for entry 7218912

Preview

Coordinates	7218912.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate
Formula	C53 H97 N O45
Calculated formula	C53 H79 N O45
Title of publication	Studies on polymorph conversion in a new cyclodextrin inclusion compound
Authors of publication	Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	937
a	18.7766 ± 0.0006 Å
b	24.6489 ± 0.0008 Å
c	15.3471 ± 0.0005 Å
α	90°
β	109.642 ± 0.002°
γ	90°
Cell volume	6689.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1439
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.197
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218912.cif
133143	2015-03-06	cif/ Updating files of 7218911, 7218912 Original log message: Adding full bibliography for 7218911--7218912.cif.	7218912.cif
127891	2014-11-26	cif/ Adding structures of 7218911, 7218912 via cif-deposit CGI script.	7218912.cif