Crystallography Open Database

Information card for entry 4122493

Preview

Coordinates	4122493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H20
Calculated formula	C35 H21
SMILES	[C]1(c2ccc3ccccc3c2c2c1ccc1ccccc21)c1c2ccccc2cc2c1cccc2
Title of publication	Design and synthesis of new stable fluorenyl-based radicals.
Authors of publication	Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	36
Pages of publication	12784 - 12793
a	14.719 ± 0.002 Å
b	13.335 ± 0.002 Å
c	13.137 ± 0.002 Å
α	90°
β	118.001 ± 0.003°
γ	90°
Cell volume	2276.7 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179026 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/24.	4122493.cif
127024	2014-11-12	cif/ Updating files of 4122492, 4122493, 4122494, 4122495 Original log message: Adding full bibliography for 4122492--4122495.cif.	4122493.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4122493.cif
122493	2014-08-26	cif/ Adding structures of 4122493 via cif-deposit CGI script.	4122493.cif