Crystallography Open Database

Information card for entry 7240294

Preview

Coordinates	7240294.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	180618a
Formula	C30 H22 N2 O2
Calculated formula	C30 H22 N2 O2
SMILES	c1c(C(=C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)c2ccc(cc2)OC)ccc(c1)OC
Title of publication	Tuning the fluorescence based on the combination of TICT and AIE emission of a tetraphenylethylene with D‒π‒A structure
Authors of publication	Zhang, Mengxing; Li, Jiale; Yu, Lirong; Wang, Xi; Bai, Ming
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	25
Pages of publication	14520 - 14524
a	9.6368 ± 0.0013 Å
b	15.6248 ± 0.0016 Å
c	16.1815 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2436.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1773
Residual factor for significantly intense reflections	0.126
Weighted residual factors for significantly intense reflections	0.3479
Weighted residual factors for all reflections included in the refinement	0.4183
Goodness-of-fit parameter for all reflections included in the refinement	1.372
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258068 (current)	2020-10-06	cif/ Updating files of 7240294 Original log message: Adding full bibliography for 7240294.cif.	7240294.cif
250585	2020-04-10	cif/ Adding structures of 7240294 via cif-deposit CGI script.	7240294.cif