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Information card for entry 7248537
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Coordinates | 7248537.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | phenoxathiin derivative |
---|---|
Formula | C25 H33.87 O4 S |
Calculated formula | C25 H33.87 O4 S |
Title of publication | Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles |
Authors of publication | Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel |
Journal of publication | RSC Advances |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 19 |
Pages of publication | 13463 - 13473 |
a | 10.1548 ± 0.0004 Å |
b | 13.1857 ± 0.0005 Å |
c | 17.8205 ± 0.0007 Å |
α | 90° |
β | 99.4068 ± 0.0013° |
γ | 90° |
Cell volume | 2354.05 ± 0.16 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0374 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for all reflections | 0.1038 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0017 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248537.html
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Users of the data should acknowledge the original authors of the
structural data.