Crystallography Open Database

Information card for entry 1504982

Preview

Coordinates	1504982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H48 B2 Cl2 N6 O2
Calculated formula	C69 H48 B2 Cl2 N6 O2
Title of publication	3,3'- and 4,4'-biphenylene-bridged subporphyrin dimers.
Authors of publication	Inokuma, Yasuhide; Osuka, Atsuhiro
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	24
Pages of publication	5561 - 5564
a	11.866 ± 0.004 Å
b	19.507 ± 0.007 Å
c	12.211 ± 0.005 Å
α	90°
β	103.446 ± 0.015°
γ	90°
Cell volume	2749 ± 1.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2517
Weighted residual factors for all reflections included in the refinement	0.2784
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1504982.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504982.cif
42520	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504982 via cif-deposit CGI script.	1504982.cif