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Information card for entry 4024161
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Coordinates | 4024161.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H12 O2 S2 |
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Calculated formula | C14 H12 O2 S2 |
Title of publication | Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior |
Authors of publication | Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 7157 - 7166 |
a | 8.9805 ± 0.0004 Å |
b | 9.2539 ± 0.0005 Å |
c | 9.8518 ± 0.0007 Å |
α | 66.037 ± 0.005° |
β | 74.034 ± 0.005° |
γ | 62.74 ± 0.004° |
Cell volume | 661.06 ± 0.07 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0858 |
Residual factor for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 1.5418 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/4024161.html
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Users of the data should acknowledge the original authors of the
structural data.