Crystallography Open Database

Information card for entry 7019704

7019703 << 7019704 >> 7019705

Preview

Coordinates	7019704.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1-di(trifluoromethyl)-2-(9H-fluoren-9-ylidene)-ethene
Formula	C17 H8 F6
Calculated formula	C17 H8 F6
SMILES	FC(F)(F)C(=C=C1c2ccccc2c2ccccc12)C(F)(F)F
Title of publication	Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.
Authors of publication	Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	30
Pages of publication	9073 - 9082
a	7.266 ± 0.002 Å
b	20.145 ± 0.006 Å
c	9.725 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1423.5 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7019704.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019704.cif
64282	2012-08-12	cif/ Adding structures of 7019695, 7019696, 7019697, 7019698, 7019699, 7019700, 7019701, 7019702, 7019703, 7019704, 7019705 via cif-deposit CGI script.	7019704.cif