Crystallography Open Database

Information card for entry 1508172

Preview

Coordinates	1508172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H118 O11
Calculated formula	C146.001 H78 O10.986
Title of publication	A two-dimensional polymer prepared by organic synthesis.
Authors of publication	Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji
Journal of publication	Nature chemistry
Year of publication	2012
Journal volume	4
Journal issue	4
Pages of publication	287 - 291
a	22.205 ± 0.003 Å
b	22.205 ± 0.0017 Å
c	12.509 ± 0.0011 Å
α	90 ± 0.002°
β	90 ± 0.002°
γ	120 ± 0.005°
Cell volume	5341.4 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1466
Residual factor for significantly intense reflections	0.1362
Weighted residual factors for significantly intense reflections	0.3889
Weighted residual factors for all reflections included in the refinement	0.3989
Goodness-of-fit parameter for all reflections included in the refinement	3.137
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.	1508172.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508172.cif
62718	2012-07-09	cif/ Adding structures of 1508172 via cif-deposit CGI script.	1508172.cif