Crystallography Open Database

Information card for entry 7204815

7204814 << 7204815 >> 7204816

Preview

Coordinates	7204815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H33.11 O4.06
Calculated formula	C38.51 H30 O4.05333
Title of publication	Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests
Authors of publication	Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda
Journal of publication	CrystEngComm
Year of publication	2004
Journal volume	6
Journal issue	14
Pages of publication	60 - 69
a	35.283 ± 0.004 Å
b	35.283 ± 0.004 Å
c	12.499 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	13475 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7204815.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204815.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204815.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204815.cif