Crystallography Open Database

Information card for entry 1511876

Preview

Coordinates	1511876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32
Calculated formula	C38 H32
SMILES	Cc1cc(C)c(c(c1)C)C1c2ccccc2C2C=1C=CC1C=2c2ccccc2C=1c1c(C)cc(cc1C)C
Title of publication	Indeno[2,1-c]fluorene: a new electron-accepting scaffold for organic electronics.
Authors of publication	Fix, Aaron G.; Deal, Parker E.; Vonnegut, Chris L.; Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M.
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	6
Pages of publication	1362 - 1365
a	29.183 ± 0.003 Å
b	9.2281 ± 0.0011 Å
c	20.653 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5561.9 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	2
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	0.0419
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	1511876.cif
85768	2013-05-07	cif/ Adding structures of 1511876 via cif-deposit CGI script.	1511876.cif