Crystallography Open Database

Information card for entry 7234706

Preview

Coordinates	7234706.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DBTO-PTZ
Formula	C36 H22 N2 O2 S3
Calculated formula	C36 H22 N2 O2 S3
Title of publication	Integration of aggregation-induced emission and delayed fluorescence into electronic donor-acceptor conjugates
Authors of publication	Shifeng Gan; Wenwen Luo; Bairong He; Long Chen; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	3705 - 3708
a	26.891 ± 0.003 Å
b	7.4319 ± 0.0004 Å
c	18.017 ± 0.002 Å
α	90°
β	125.41 ± 0.017°
γ	90°
Cell volume	2934.7 ± 0.8 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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