Crystallography Open Database

Information card for entry 7124727

Preview

Coordinates	7124727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 S2
Calculated formula	C40 H32 S2
Title of publication	Synthesis, aggregation-enhanced emission, polymorphism and piezochromism of TPE-cored foldamers with through-space conjugation.
Authors of publication	Zhuang, Zeyan; Shen, Pingchuan; Ding, Siyang; Luo, Wenwen; He, Bairong; Nie, Han; Wang, Bohan; Huang, Tianbai; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	72
Pages of publication	10842 - 10845
a	9.6317 ± 0.0006 Å
b	9.5173 ± 0.0005 Å
c	33.0419 ± 0.0018 Å
α	90°
β	96.269 ± 0.002°
γ	90°
Cell volume	3010.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0776
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
234172 (current)	2019-11-23	cif/ Adding structures of 7124725, 7124726, 7124727, 7124728 via cif-deposit CGI script.	7124727.cif