Crystallography Open Database

Information card for entry 1571794

Preview

Coordinates	1571794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H32
Calculated formula	C49 H32
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	9.9178 ± 0.0005 Å
b	13.3016 ± 0.0008 Å
c	14.7232 ± 0.0009 Å
α	68.269 ± 0.002°
β	83.486 ± 0.002°
γ	69.787 ± 0.002°
Cell volume	1692.94 ± 0.17 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 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	0.1127
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	1571794.cif
292239	2024-06-07	cif/ Adding structures of 1571794, 1571795, 1571796 via cif-deposit CGI script.	1571794.cif