Crystallography Open Database

Information card for entry 7150569

Preview

Coordinates	7150569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H91.249 O43.6245
Calculated formula	C45 H49 O43.6245
Title of publication	Switching of polymerization activity of cinnamoyl-α-cyclodextrin
Authors of publication	Osaki, Motofumi; Takashima, Yoshinori; Yamaguchi, Hiroyasu; Harada, Akira
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	8
Pages of publication	1646 - 1651
a	15.5665 ± 0.0004 Å
b	23.5385 ± 0.0005 Å
c	33.1929 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	12162.3 ± 0.5 Å³
Cell temperature	100.1 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 significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7150569.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150569.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150569.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150569.cif