Crystallography Open Database

Information card for entry 1503817

Preview

Coordinates	1503817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 O2.5
Calculated formula	C36 H26 O2.5
Title of publication	Synthesis of a BDPA-TEMPO biradical.
Authors of publication	Dane, Eric L.; Maly, Thorsten; Debelouchina, Galia T.; Griffin, Robert G.; Swager, Timothy M.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1871 - 1874
a	11.2172 ± 0.0004 Å
b	13.4212 ± 0.0004 Å
c	19.4882 ± 0.0006 Å
α	73.849 ± 0.001°
β	80.812 ± 0.001°
γ	66.344 ± 0.001°
Cell volume	2577.46 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503817.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503817.cif
39107	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503817 via cif-deposit CGI script.	1503817.cif