Crystallography Open Database

Information card for entry 7058148

Preview

Coordinates	7058148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H88
Calculated formula	C117 H88
Title of publication	Oligofluorene with multiple spiro-connections: its and their use in blue and white OLEDs
Authors of publication	Xia, Debin; Duan, Chunbo; Liu, Shihui; Ding, Dongxue; Baumgarten, Martin; Wagner, Manfred; Schollmeyer, Dieter; Xu, Hui; Müllen, Klaus
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	9
Pages of publication	3788
a	18.8798 ± 0.0013 Å
b	18.969 ± 0.0012 Å
c	20.2269 ± 0.0015 Å
α	114.305 ± 0.005°
β	110.247 ± 0.005°
γ	90.152 ± 0.005°
Cell volume	6104.1 ± 0.8 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.2521
Residual factor for significantly intense reflections	0.1122
Weighted residual factors for significantly intense reflections	0.2794
Weighted residual factors for all reflections included in the refinement	0.3632
Goodness-of-fit parameter for all reflections included in the refinement	0.899
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224888 (current)	2019-11-08	cif/ Updating files of 7058148 Original log message: Adding full bibliography for 7058148.cif.	7058148.cif
213510	2019-02-06	cif/ Adding structures of 7058148 via cif-deposit CGI script.	7058148.cif