Crystallography Open Database

Information card for entry 1507646

Preview

Coordinates	1507646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H56
Calculated formula	C56 H56
SMILES	c1cc2c(c3c(c2c2ccc4c(c5c(c4c12)cc(cc5)C(C)(C)C)c1c(cc(cc1C)C)C)cc(cc3)C(C)(C)C)c1c(cc(cc1C)C)C.c1ccccc1
Title of publication	Fluoreno[4,3-c]fluorene: A Closed-Shell, Fully Conjugated Hydrocarbon.
Authors of publication	Rose, Bradley D.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	2426 - 2429
a	26.5 ± 0.03 Å
b	14.575 ± 0.018 Å
c	11.213 ± 0.014 Å
α	90°
β	99.66 ± 0.03°
γ	90°
Cell volume	4269 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1696
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507646.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507646.cif
57603	2012-05-18	cif/ Adding structures of 1507646 via cif-deposit CGI script.	1507646.cif