Crystallography Open Database

Information card for entry 7119747

7119746 << 7119747 >> 7119748

Preview

Coordinates	7119747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 O4
Calculated formula	C30 H28 O4
SMILES	C(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC
Title of publication	Liquefaction-induced emission enhancement of tetraphenylethene derivatives.
Authors of publication	Machida, Takashi; Taniguchi, Ryosuke; Oura, Tsuyoshi; Sada, Kazuki; Kokado, Kenta
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	15
Pages of publication	2378 - 2381
a	9.6317 ± 0.0003 Å
b	15.5277 ± 0.0006 Å
c	16.0905 ± 0.0005 Å
α	90°
β	92.4928 ± 0.0012°
γ	90°
Cell volume	2404.19 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
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	0.063
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193655 (current)	2017-03-04	cif/ Adding structures of 7119746, 7119747 via cif-deposit CGI script.	7119747.cif