Information card for entry 7132168
Formula
C13 H13 N O6 S
Calculated formula
C13 H13 N O6 S
Title of publication
Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.
Authors of publication
Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun
Journal of publication
Chemical communications (Cambridge, England)
Year of publication
2023
a
29.787 ± 0.005 Å
b
7.0172 ± 0.0012 Å
c
13.601 ± 0.002 Å
α
90°
β
103.886 ± 0.003°
γ
90°
Cell volume
2759.8 ± 0.8 Å3
Cell temperature
296 ± 2 K
Ambient diffraction temperature
296 ± 2 K
Number of distinct elements
5
Space group number
15
Hermann-Mauguin space group symbol
C 1 2/c 1
Hall space group symbol
-C 2yc
Residual factor for all reflections
0.1001
Residual factor for significantly intense reflections
0.051
Weighted residual factors for significantly intense reflections
0.1365
Weighted residual factors for all reflections included in the refinement
0.1631
Goodness-of-fit parameter for all reflections included in the refinement
1.003
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
No
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