Crystallography Open Database

Information card for entry 7132961

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Coordinates	7132961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 S2
Calculated formula	C34 H34 S2
Title of publication	C-H arylation of thiopyran derivatives with aryl halides.
Authors of publication	Su, Yangzhe; Wang, Min; Xu, Jianping; Chen, Weinan; Zhou, Gang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	39
Pages of publication	5193 - 5196
a	37.256 ± 0.006 Å
b	37.256 ± 0.006 Å
c	5.1212 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6155.9 ± 1.9 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1364
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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