Crystallography Open Database

Information card for entry 4064345

Preview

Coordinates	4064345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H29 B
Calculated formula	C35 H29 B
Title of publication	Design, Synthesis, and Characterization of Functionalized Silepins: High Quantum Yield Blue Emitters
Authors of publication	Mercier, Lauren G.; Furukawa, Shunsuke; Piers, Warren E.; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Parvez, Masood; Harrington, Ross W.; Clegg, William
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1719
a	22.7127 ± 0.0008 Å
b	22.7127 ± 0.0008 Å
c	10.0886 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5204.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178537 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/43.	4064345.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064345.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064345.cif
32870	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064345 via cif-deposit CGI script.	4064345.cif