Crystallography Open Database

Information card for entry 1571795

Preview

Coordinates	1571795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H28
Calculated formula	C43 H28
Title of publication	Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.
Authors of publication	Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10547 - 10555
a	10.0916 ± 0.0004 Å
b	10.7661 ± 0.0004 Å
c	13.935 ± 0.0005 Å
α	74.868 ± 0.001°
β	84.912 ± 0.001°
γ	78.065 ± 0.002°
Cell volume	1428.94 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0632
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
293763 (current)	2024-08-05	cif/ Updating files of 1571794, 1571795, 1571796 Original log message: Adding full bibliography for 1571794--1571796.cif.	1571795.cif
292239	2024-06-07	cif/ Adding structures of 1571794, 1571795, 1571796 via cif-deposit CGI script.	1571795.cif