Crystallography Open Database

Information card for entry 7218911

Preview

Coordinates	7218911.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate
Formula	C106 H202 N2 O94
Calculated formula	C106 H158 N2 O94.0001
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	15.281 ± 0.003 Å
b	15.431 ± 0.003 Å
c	17.911 ± 0.004 Å
α	99.573 ± 0.009°
β	113.073 ± 0.009°
γ	102.518 ± 0.01°
Cell volume	3641.8 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1808
Residual factor for significantly intense reflections	0.1384
Weighted residual factors for significantly intense reflections	0.3494
Weighted residual factors for all reflections included in the refinement	0.3831
Goodness-of-fit parameter for all reflections included in the refinement	1.405
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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