Crystallography Open Database

Information card for entry 7214714

Preview

Coordinates	7214714.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	α-cyclodextrin 6.8-hydrate
Chemical name	cyclohexaamylose 6.8-hydrate, cyclomaltohexaose 6.8-hydrate
Formula	C36 H73.6 O36.8
Calculated formula	C36 H70 O36.8
Title of publication	A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions
Authors of publication	Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	24
Pages of publication	8664
a	14.657 ± 0.005 Å
b	34.253 ± 0.014 Å
c	9.217 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4627 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.5 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180478 (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 7/21/47.	7214714.cif
110952	2014-04-20	cif/ Adding structures of 7214713, 7214714 via cif-deposit CGI script.	7214714.cif