Crystallography Open Database

Information card for entry 4104935

Preview

Coordinates	4104935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H91.249 O43.6245
Calculated formula	C45 H49 O43.6245
Title of publication	Social Self-Sorting: Alternating Supramolecular Oligomer Consisting of Isomers
Authors of publication	Naoki Tomimasu; Akira Kanaya; Yoshinori Takashima; Hiroyasu Yamaguchi; Akira Harada
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12339 - 12343
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4104935.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104935.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104935.cif
30057	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104935 via cif-deposit CGI script.	4104935.cif