Crystallography Open Database

Information card for entry 4122495

Preview

Coordinates	4122495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H21
Calculated formula	C35 H21
SMILES	C1(c2cc3ccccc3cc2c2cc3ccccc3cc12)c1c2ccccc2cc2ccccc12
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	12.947 ± 0.0004 Å
b	12.7291 ± 0.0003 Å
c	28.2335 ± 0.0006 Å
α	90°
β	96.669 ± 0.001°
γ	90°
Cell volume	4621.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4122495.html