Crystallography Open Database

Information card for entry 7135300

Preview

Coordinates	7135300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 O5 S
Calculated formula	C27 H20 O5 S
Title of publication	Lewis Acid Catalysed Cyclization of Pyridinium 1,4-Zwitterionic Thiolates with Propargyl Alcohols and Fluorescence Applications
Authors of publication	Yang, Zhi-Yuan; Li, Xue-Song; Zhang, Ming-Li; You, Zi-Xin; Liang, Yong-Min; Zhou, Ming-Dong
Journal of publication	Chemical Communications
Year of publication	2026
a	14.2771 ± 0.0004 Å
b	37.754 ± 0.001 Å
c	17.4551 ± 0.0005 Å
α	90°
β	107.017 ± 0.003°
γ	90°
Cell volume	8996.7 ± 0.5 Å³
Cell temperature	303.09 ± 0.13 K
Ambient diffraction temperature	303.09 ± 0.13 K
Number of distinct elements	4
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	0.151
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2812
Weighted residual factors for all reflections included in the refinement	0.3114
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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