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Information card for entry 4024160
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Coordinates | 4024160.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33.25 O4 S4 |
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Calculated formula | C33 H33.25 O4 S4 |
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 | 10.516 ± 0.0002 Å |
b | 18.8366 ± 0.0003 Å |
c | 31.7909 ± 0.0006 Å |
α | 90.1202 ± 0.0006° |
β | 94.7055 ± 0.0008° |
γ | 94.91 ± 0.0008° |
Cell volume | 6252.8 ± 0.19 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 | 0.082 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for all reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.0504 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0933 |
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/4024160.html
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Users of the data should acknowledge the original authors of the
structural data.