Crystallography Open Database

Information card for entry 7119745

7119744 << 7119745 >> 7119746

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Coordinates	7119745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 O8
Calculated formula	C34 H28 O8
SMILES	C(=C(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C)(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C
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	10.4605 ± 0.0008 Å
b	20.3913 ± 0.0013 Å
c	14.1238 ± 0.0008 Å
α	90°
β	102.144 ± 0.002°
γ	90°
Cell volume	2945.2 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.23
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
193654 (current)	2017-03-04	cif/ Adding structures of 7119745 via cif-deposit CGI script.	7119745.cif