Crystallography Open Database

Information card for entry 4106953

Preview

Coordinates	4106953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H96 N17
Calculated formula	C120 H96 N17
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	29.175 ± 0.008 Å
b	29.175 ± 0.008 Å
c	10.882 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	8022 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.116
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178815 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/69.	4106953.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106953.cif
54483	2012-04-27	cif/ Adding structures of 4106953 via cif-deposit CGI script.	4106953.cif