Crystallography Open Database

Information card for entry 7121343

Preview

Coordinates	7121343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.12 H1.75 N0.12 O0.25 S0.12
Calculated formula	C17 H14 N O2 S
Title of publication	Catalytic, metal-free sulfonylcyanation of alkenes via visible light organophotoredox catalysis.
Authors of publication	Sun, Jianfeng; Li, Peng; Guo, Lei; Yu, Fang; He, Yu-Peng; Chu, Lingling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	25
Pages of publication	3162 - 3165
a	7.8523 ± 0.0005 Å
b	9.176 ± 0.0008 Å
c	10.4482 ± 0.0008 Å
α	90.106 ± 0.004°
β	92.683 ± 0.004°
γ	94.315 ± 0.004°
Cell volume	749.85 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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