Crystallography Open Database

Information card for entry 1573617

Preview

Coordinates	1573617.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(anthracen-9-yl)-9,9-dimethyl-9H-xanthene
Formula	C29 H22 O
Calculated formula	C29 H22 O
SMILES	O1c2c(C(c3cc(ccc13)c1c3c(cc4c1cccc4)cccc3)(C)C)cccc2
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	26.9512 ± 0.001 Å
b	9.4305 ± 0.0003 Å
c	17.329 ± 0.0006 Å
α	90°
β	111.921 ± 0.001°
γ	90°
Cell volume	4086 ± 0.2 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.2013
Goodness-of-fit parameter for all reflections included in the refinement	1.2878
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
298136 (current)	2025-03-04	cif/ Updating files of 1573617, 1573618 Original log message: Adding full bibliography for 1573617--1573618.cif.	1573617.cif
297235	2025-01-09	cif/ Adding structures of 1573617, 1573618 via cif-deposit CGI script.	1573617.cif