Crystallography Open Database

Information card for entry 4115747

Preview

Coordinates	4115747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 O12
Calculated formula	C28 H16 O12
Title of publication	Self-Assembled Arrays of Organic Nanotubes with Infinitely Long One-Dimensional H-Bond Chains
Authors of publication	Byung Hee Hong; Jin Yong Lee; Chi-Wan Lee; Jong Chan Kim; Sung Chul Bae; Kwang S. Kim
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	10748 - 10749
a	23.3007 ± 0.0005 Å
b	25.0356 ± 0.0001 Å
c	11.6313 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6785.08 ± 0.19 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2891
Weighted residual factors for all reflections included in the refinement	0.3146
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
178928 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/57.	4115747.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115747.cif
69471	2012-12-18	cif/ Adding structures of 4115747 via cif-deposit CGI script.	4115747.cif