Crystallography Open Database

Information card for entry 7248824

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Coordinates	7248824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 N2 O4 S
Calculated formula	C12 H16 N2 O4 S
Title of publication	Photo-mediated radical relay oximinosulfonamidation of alkenes with N-nitrosamines triggered by DABSO
Authors of publication	Sang, Ji-Wei; Chen, Hong; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	13
Pages of publication	7849 - 7856
a	25.691 ± 0.002 Å
b	5.5958 ± 0.0005 Å
c	19.8517 ± 0.0018 Å
α	90°
β	112.73°
γ	90°
Cell volume	2632.3 ± 0.4 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 2 K
Number of distinct elements	5
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	0.0409
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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