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Information card for entry 4026329
Preview
Coordinates | 4026329.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H76 O6 |
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Calculated formula | C64 H76 O6 |
SMILES | c1(c2cc(cc1C(c1c(OC)c(cc(c1)C(C)(C)C)C(=O)c1c(c(C(c3c(c(C2=O)cc(c3)C(C)(C)C)OC)c2c(cc(cc2)C)C)cc(c1)C(C)(C)C)OC)c1c(cc(cc1)C)C)C(C)(C)C)OC |
Title of publication | Calix[4]arenes with Two Different Chemical Modifications at the Bridges |
Authors of publication | Lev Kuno; Silvio E. Biali |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 3664 - 3675 |
a | 9.9296 ± 0.0011 Å |
b | 20.074 ± 0.002 Å |
c | 28.271 ± 0.003 Å |
α | 90° |
β | 96.792 ± 0.002° |
γ | 90° |
Cell volume | 5595.6 ± 1 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1557 |
Weighted residual factors for all reflections included in the refinement | 0.1632 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
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/4026329.html
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