Crystallography Open Database

Information card for entry 1573618

Preview

Coordinates	1573618.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,5-di(anthracen-9-yl)-9,9-dimethyl-9H-xanthene
Formula	C43 H30 O
Calculated formula	C43 H30 O
SMILES	O1c2c(c3c4c(cc5c3cccc5)cccc4)cccc2C(c2c1c(c1c3c(cc4c1cccc4)cccc3)ccc2)(C)C
Title of publication	A comparative investigation on excimer fluorescence toward its bright future.
Authors of publication	Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	7
Pages of publication	3275 - 3284
a	9.1255 ± 0.0005 Å
b	17.9972 ± 0.0011 Å
c	18.3091 ± 0.0011 Å
α	90.153 ± 0.002°
β	90.817 ± 0.002°
γ	94.909 ± 0.002°
Cell volume	2995.6 ± 0.3 Å³
Cell temperature	302 K
Ambient diffraction temperature	302 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
299663 (current)	2025-05-14	cif/1: Fixing some Z values and formulae	1573618.cif
298136	2025-03-04	cif/ Updating files of 1573617, 1573618 Original log message: Adding full bibliography for 1573617--1573618.cif.	1573618.cif
297235	2025-01-09	cif/ Adding structures of 1573617, 1573618 via cif-deposit CGI script.	1573618.cif