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Information card for entry 7248320
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Coordinates | 7248320.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis((4-bromo-2,6-difluorophenyl)thio)methane |
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Formula | C13 H6 Br2 F4 S2 |
Calculated formula | C13 H6 Br2 F4 S2 |
Title of publication | Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents |
Authors of publication | Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz |
Journal of publication | RSC Medicinal Chemistry |
Year of publication | 2024 |
a | 14.4495 ± 0.0002 Å |
b | 7.5081 ± 0.0001 Å |
c | 13.634 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1479.13 ± 0.04 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0211 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0543 |
Weighted residual factors for all reflections included in the refinement | 0.0544 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
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/7248320.html
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