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Information card for entry 7057697
Preview
Coordinates | 7057697.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H58 O5 |
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Calculated formula | C45 H58 O5 |
Title of publication | meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents |
Authors of publication | Slavík, P.; Eigner, V.; Lhoták, P. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 20 |
Pages of publication | 16646 |
a | 11.8255 ± 0.0002 Å |
b | 26.0677 ± 0.0006 Å |
c | 12.7656 ± 0.0003 Å |
α | 90° |
β | 95.1043 ± 0.0007° |
γ | 90° |
Cell volume | 3919.56 ± 0.15 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Ambient diffracton pressure | 101 kPa |
Number of distinct elements | 3 |
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 | 0.048 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for all reflections | 0.114 |
Weighted residual factors for significantly intense reflections | 0.1125 |
Weighted residual factors for all reflections included in the refinement | 0.1139 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9794 |
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/7057697.html
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Users of the data should acknowledge the original authors of the
structural data.