Crystallography Open Database

Information card for entry 7700229

Preview

Coordinates	7700229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 B2 O2 Te
Calculated formula	C32 H44 B2 O2 Te
Title of publication	Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.
Authors of publication	Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	27
Pages of publication	10210 - 10219
a	10.0095 ± 0.0003 Å
b	12.3649 ± 0.0004 Å
c	12.5793 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1556.9 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0165
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.0399
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
223867 (current)	2019-11-07	cif/ Updating files of 7700228, 7700229, 7700230, 7700231 Original log message: Adding full bibliography for 7700228--7700231.cif.	7700229.cif
215802	2019-06-11	cif/ Adding structures of 7700228, 7700229, 7700230, 7700231 via cif-deposit CGI script.	7700229.cif