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Information card for entry 4032022
Preview
Coordinates | 4032022.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H60 O10 |
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Calculated formula | C50 H60 O10 |
SMILES | c1(c(c2cc(c1OC)Cc1c(c(c(c(c1)Cc1cc(c(c(c1OC)C)OC)Cc1c(c(c(c(c1)Cc1c(c(c(c(c1)C2)OC)C)OC)OC)C)OC)OC)C)OC)OC)C |
Title of publication | Improved Synthesis of Larger Resorcinarenes. |
Authors of publication | Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 13 |
Pages of publication | 5726 - 5731 |
a | 11.2 ± 0.01 Å |
b | 13.43 ± 0.01 Å |
c | 16.32 ± 0.01 Å |
α | 103.467 ± 0.002° |
β | 94.715 ± 0.003° |
γ | 114.462 ± 0.002° |
Cell volume | 2128 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0655 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.161 |
Weighted residual factors for all reflections included in the refinement | 0.1615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
Diffraction radiation wavelength | 0.7 Å |
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/4032022.html
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Users of the data should acknowledge the original authors of the
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