Crystallography Open Database

Information card for entry 7230347

Preview

Coordinates	7230347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 O
Calculated formula	C29 H18 O
Title of publication	Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
Authors of publication	Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	9922 - 9929
a	5.2858 ± 0.0007 Å
b	8.206 ± 0.0011 Å
c	42.862 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1859.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0726
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
230936 (current)	2019-11-17	cif/ Updating files of 7230343, 7230344, 7230345, 7230346, 7230347, 7230348 Original log message: Adding full bibliography for 7230343--7230348.cif.	7230347.cif
207074	2018-03-23	cif/ Adding structures of 7230343, 7230344, 7230345, 7230346, 7230347, 7230348 via cif-deposit CGI script.	7230347.cif