Crystallography Open Database

Information card for entry 1560078

Preview

Coordinates	1560078.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9-benzoylcarbazole
Formula	C19 H13 N O
Calculated formula	C19 H13 N O
SMILES	n1(c2ccccc2c2ccccc12)C(=O)c1ccccc1
Title of publication	Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
Authors of publication	Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3580 - 3586
a	17.214 ± 0.002 Å
b	14.4042 ± 0.0016 Å
c	5.5668 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1380.3 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections	0.972
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuK\α
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263669 (current)	2021-04-05	cif/ Updating files of 1560078, 1560079, 1560080, 1560081 Original log message: Adding full bibliography for 1560078--1560081.cif.	1560078.cif
260925	2021-01-14	cif/ Adding structures of 1560078, 1560079, 1560080, 1560081 via cif-deposit CGI script.	1560078.cif