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Information card for entry 4024159
Preview
Coordinates | 4024159.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H28 O4 S4 |
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Calculated formula | C30 H28 O4 S4 |
SMILES | c1c2Sc3cccc(c3O)Sc3cccc(Sc4cccc(c4O)Sc(c2OCCC)cc1)c3OCCC |
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 | 8.779 ± 0.0003 Å |
b | 9.018 ± 0.0003 Å |
c | 10.071 ± 0.0004 Å |
α | 103.771 ± 0.0015° |
β | 105.148 ± 0.0017° |
γ | 109.517 ± 0.0018° |
Cell volume | 677.42 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0345 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for all reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.0385 |
Weighted residual factors for all reflections included in the refinement | 0.0385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0212 |
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/4024159.html
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