Crystallography Open Database

Information card for entry 4028555

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Coordinates	4028555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 Cl3 N3 O S
Calculated formula	C42 H36 Cl3 N3 O S
Title of publication	Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores
Authors of publication	Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	8669 - 8679
a	10.02 ± 0.007 Å
b	10.25 ± 0.007 Å
c	18.583 ± 0.013 Å
α	78.568 ± 0.011°
β	87.828 ± 0.011°
γ	75.839 ± 0.012°
Cell volume	1814 ± 2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1228
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2537
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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