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Information card for entry 7132167
Preview
Coordinates | 7132167.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H34 N2 O4 S2 |
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Calculated formula | C42 H34 N2 O4 S2 |
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 | 15.7591 ± 0.0003 Å |
b | 7.2376 ± 0.0001 Å |
c | 17.3492 ± 0.0003 Å |
α | 90° |
β | 116.14 ± 0.002° |
γ | 90° |
Cell volume | 1776.42 ± 0.06 Å3 |
Cell temperature | 295.5 ± 0.11 K |
Ambient diffraction temperature | 295.5 ± 0.11 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132167.html
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