Crystallography Open Database

Information card for entry 1504077

Preview

Coordinates	1504077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 B2 O4
Calculated formula	C30 H34 B2 O4
SMILES	B1(c2cc3cc4c(cc3cc2)cc2c(c4)cc(B3OC(C(O3)(C)C)(C)C)cc2)OC(C(O1)(C)C)(C)C
Title of publication	2,8- and 2,9-Diboryltetracenes as useful building blocks for extended pi-conjugated tetracenes.
Authors of publication	Kimoto, Takakazu; Tanaka, Kenro; Sakai, Yoshimasa; Ohno, Akira; Yoza, Kenji; Kobayashi, Kenji
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	16
Pages of publication	3658 - 3661
a	36.848 ± 0.009 Å
b	45.584 ± 0.011 Å
c	6.2397 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	10481 ± 4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	1504077.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504077.cif
39354	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504077 via cif-deposit CGI script.	1504077.cif