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Information card for entry 7248542
Preview
Coordinates | 7248542.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H54 O10 S3 |
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Calculated formula | C43 H54 O10 S3 |
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 | 15.7249 ± 0.0004 Å |
b | 14.5795 ± 0.0004 Å |
c | 18.6923 ± 0.0005 Å |
α | 90° |
β | 91.5925 ± 0.0012° |
γ | 90° |
Cell volume | 4283.8 ± 0.2 Å3 |
Cell temperature | 260 K |
Ambient diffraction temperature | 260 K |
Ambient diffracton pressure | 101 kPa |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for all reflections | 0.1406 |
Weighted residual factors for significantly intense reflections | 0.1357 |
Weighted residual factors for all reflections included in the refinement | 0.1406 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9659 |
Diffraction radiation wavelength | 1.54178 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/7248542.html
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Users of the data should acknowledge the original authors of the
structural data.