Crystallography Open Database

Information card for entry 7115903

Preview

Coordinates	7115903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180.15 H167.6 B12 N4 O32
Calculated formula	C180.15 H167.6 B12 N4 O32
Title of publication	Procedure-dependent construction of two isomers of trimeric self-assembled boronic esters
Authors of publication	Kosuke Ono; Ryo Aizawa; Taiki Yamano; Suguru Ito; Nobuhiro Yasuda; Kohei Johmoto; Hidehiro Uekusa; Nobuharu Iwasawa
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13683
a	25.7426 ± 0.0008 Å
b	21.2737 ± 0.0006 Å
c	42.0407 ± 0.0011 Å
α	90°
β	98.2499 ± 0.001°
γ	90°
Cell volume	22784.9 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1756
Residual factor for significantly intense reflections	0.1104
Weighted residual factors for significantly intense reflections	0.2693
Weighted residual factors for all reflections included in the refinement	0.2986
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	0.78215 Å
Diffraction radiation type	Synchrotron
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.	7115903.cif
128120	2014-12-04	cif/ Adding structures of 7115902, 7115903 via cif-deposit CGI script.	7115903.cif