Crystallography Open Database

Information card for entry 1501790

Preview

Coordinates	1501790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C447 H394 O12 Si8
Calculated formula	C447 H394 O12 Si8
Title of publication	Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes
Authors of publication	Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.
Journal of publication	Macromolecules
Year of publication	2011
Journal volume	44
Journal issue	9
Pages of publication	3425
a	32.6146 ± 0.0019 Å
b	32.6146 ± 0.0019 Å
c	41.178 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	43802 ± 6 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	4
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1385
Residual factor for significantly intense reflections	0.1193
Weighted residual factors for significantly intense reflections	0.3056
Weighted residual factors for all reflections included in the refinement	0.3139
Goodness-of-fit parameter for all reflections included in the refinement	1.971
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501790.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501790.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501790.cif
35142	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501790 via cif-deposit CGI script.	1501790.cif