Crystallography Open Database

Information card for entry 7234775

Preview

Coordinates	7234775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 O
Calculated formula	C32 H22 O
SMILES	c12ccccc1/C(=C(\c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccccc1O2
Title of publication	The construction of a multicolored mechanochromic luminogen with high contrast through the combination of a large conjugation core and peripheral phenyl rings
Authors of publication	Zhiju Zhao; Taixin Chen; Shuting Jiang; Zhengping Liu; Decai Fang; Yong Qiang Dong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	4800 - 4804
a	5.9071 ± 0.0005 Å
b	8.9508 ± 0.0008 Å
c	20.8754 ± 0.0013 Å
α	99.023 ± 0.006°
β	96.445 ± 0.006°
γ	95.404 ± 0.007°
Cell volume	1076.15 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
220082 (current)	2019-10-28	cif/ Adding structures of 7234775 via cif-deposit CGI script.	7234775.cif