Crystallography Open Database

Information card for entry 7020844

7020843 << 7020844 >> 7020845

Preview

Coordinates	7020844.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole
Chemical name	N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole
Formula	C30 H30 B N S2
Calculated formula	C30 H30 B N S2
Title of publication	TICT fluorescence of N-borylated 2,5-diarylpyrroles: a gear like dual motion in the excited state.
Authors of publication	Taniguchi, Takuhiro; Wang, Jian; Irle, Stephan; Yamaguchi, Shigehiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	3
Pages of publication	620 - 624
a	8.49 ± 0.03 Å
b	12.61 ± 0.04 Å
c	12.72 ± 0.06 Å
α	105.34 ± 0.09°
β	91.55 ± 0.08°
γ	102.24 ± 0.08°
Cell volume	1278 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1834
Weighted residual factors for all reflections included in the refinement	0.2078
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179913 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020844.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020844.cif
73682	2013-02-21	cif/ Adding structures of 7020843, 7020844 via cif-deposit CGI script.	7020844.cif