Crystallography Open Database

Information card for entry 4509826

Preview

Coordinates	4509826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 O8
Calculated formula	C21 H24 O8
Title of publication	Generation of Square-Shaped Cyclic Dimers vs Zigzag Hydrogen-Bonding Networks and Pseudoconformational Polymorphism of Tethered Benzoic Acids
Authors of publication	Kohmoto, Shigeo; Kuroda, Yu; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5017
a	27.851 ± 0.01 Å
b	4.6754 ± 0.0017 Å
c	16.764 ± 0.006 Å
α	90°
β	110.908 ± 0.004°
γ	90°
Cell volume	2039.2 ± 1.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509826.cif
97514	2014-01-29	cif/ Adding structures of 4509826, 4509827, 4509828, 4509829, 4509830 via cif-deposit CGI script.	4509826.cif