Crystallography Open Database

Information card for entry 4106951

Preview

Coordinates	4106951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H97 N12 O0.5
Calculated formula	C120 H96 N12 O0.5
Title of publication	Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages
Authors of publication	Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	16566 - 16571
a	29.29 ± 0.006 Å
b	29.29 ± 0.006 Å
c	21.799 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	16196 ± 7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1363
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	No
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.	4106951.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106951.cif
54481	2012-04-27	cif/ Adding structures of 4106951 via cif-deposit CGI script.	4106951.cif