Crystallography Open Database

Information card for entry 7233712

Preview

Coordinates	7233712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H20
Calculated formula	C31 H20
SMILES	c1(c2c3ccccc3C3(c2ccc1)c1ccccc1c1ccccc31)c1ccccc1
Title of publication	9,9'-Spirobifluorene and 4-phenyl-9,9'-spirobifluorene: pure hydrocarbon small molecules as hosts for efficient green and blue PhOLEDs
Authors of publication	Sebastien Thiery; Denis Tondelier; Celine Declairieux; Gijun Seo; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Remi Metivier; Cyril Poriel
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	4156 - 4166
a	9.7817 ± 0.0003 Å
b	13.874 ± 0.0005 Å
c	16.008 ± 0.0005 Å
α	106.112 ± 0.001°
β	91.443 ± 0.001°
γ	92.93 ± 0.001°
Cell volume	2082.65 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.066
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
292638 (current)	2024-06-28	cif/7: Fixing Z values and formulae	7233712.cif
218092	2019-09-09	cif/ Adding structures of 7233712 via cif-deposit CGI script.	7233712.cif