Crystallography Open Database

Information card for entry 4109486

Preview

Coordinates	4109486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H167 N43 O111.5 Pd6
Calculated formula	C134.24 H167.44 N43 O111.52 Pd6
Title of publication	Unusual [2+4] and [2+2] Cycloadditions of Arenes in the Confined Cavity of Self-Assembled Cages
Authors of publication	Yuki Nishioka; Takumi Yamaguchi; Michito Yoshizawa; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7000 - 7001
a	26.2759 ± 0.0019 Å
b	26.2759 ± 0.0019 Å
c	31.734 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	21910 ± 4 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.2021
Weighted residual factors for all reflections included in the refinement	0.2419
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4109486.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109486.cif
58260	2012-05-25	cif/ Adding structures of 4109486 via cif-deposit CGI script.	4109486.cif