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Information card for entry 7245340
Preview
Coordinates | 7245340.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-(4,4-Dimethyl-2-oxazolin-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole trifluoromethanesulfonate |
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Formula | C14 H18 B F4 N O6 S Si |
Calculated formula | C14 H18 B F4 N O6 S Si |
Title of publication | Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity |
Authors of publication | Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz |
Journal of publication | RSC Advances |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 36 |
Pages of publication | 23099 - 23117 |
a | 8.8063 ± 0.0008 Å |
b | 9.3428 ± 0.0007 Å |
c | 12.2512 ± 0.0011 Å |
α | 76.873 ± 0.007° |
β | 86.633 ± 0.007° |
γ | 82.552 ± 0.007° |
Cell volume | 972.9 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1043 |
Residual factor for significantly intense reflections | 0.0858 |
Weighted residual factors for significantly intense reflections | 0.2664 |
Weighted residual factors for all reflections included in the refinement | 0.2902 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7245340.html
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Users of the data should acknowledge the original authors of the
structural data.