Crystallography Open Database

Information card for entry 7119746

7119745 << 7119746 >> 7119747

Preview

Coordinates	7119746.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
Duplicate of	7119745
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287519 (current)	2023-11-10	cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46	7119746.cif
193655	2017-03-04	cif/ Adding structures of 7119746, 7119747 via cif-deposit CGI script.	7119746.cif