Crystallography Open Database

Information card for entry 4119196

4119195 << 4119196 >> 4119197

Preview

Coordinates	4119196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2016 H1728 F483 N288 O57 P83 Pd48
Calculated formula	C2016 H1728 F483 N288 O57 P83 Pd48
Title of publication	Noncovalent Tailoring of the Binding Pocket of Self-Assembled Cages by Remote Bulky Ancillary Groups
Authors of publication	Yu Fang; Takashi Murase; Sota Sato; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	613 - 615
a	44.419 ± 0.009 Å
b	75.649 ± 0.015 Å
c	46.041 ± 0.009 Å
α	90°
β	113.05 ± 0.03°
γ	90°
Cell volume	142358 ± 6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.188
Residual factor for significantly intense reflections	0.1638
Weighted residual factors for significantly intense reflections	0.4344
Weighted residual factors for all reflections included in the refinement	0.4531
Goodness-of-fit parameter for all reflections included in the refinement	1.882
Diffraction radiation wavelength	0.85 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178962 (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 4/11/91.	4119196.cif
103266	2014-02-27	cif/ Adding structures of 4119196 via cif-deposit CGI script.	4119196.cif