Crystallography Open Database

Information card for entry 1547170

Preview

Coordinates	1547170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34
Calculated formula	C42 H34
SMILES	c12ccc3c(c4c(c3c1ccc1c(c3c(c21)cccc3)c1c(cc(cc1C)C)C)cccc4)c1c(cc(cc1C)C)C
Title of publication	Synthesis and Properties of Quinoidal Fluorenofluorenes.
Authors of publication	Barker, Joshua E.; Frederickson, Conerd K.; Jones, Michael H.; Zakharov, Lev N.; Haley, Michael M.
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	19
Pages of publication	5312 - 5315
a	7.1561 ± 0.0006 Å
b	8.0619 ± 0.0006 Å
c	12.865 ± 0.001 Å
α	87.837 ± 0.004°
β	88.161 ± 0.004°
γ	75.494 ± 0.004°
Cell volume	717.84 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
202802 (current)	2017-11-07	cif/ Updating files of 1547170 Original log message: Adding full bibliography for 1547170.cif.	1547170.cif
200862	2017-09-14	cif/ Adding structures of 1547170 via cif-deposit CGI script.	1547170.cif