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Information card for entry 4032024
Preview
Coordinates | 4032024.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 O8 |
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Calculated formula | C40 H48 O8 |
SMILES | O(c1c(c(OC)c2cc1Cc1c(OC)c(c(OC)c(c1)Cc1c(OC)c(c(OC)c(c1)Cc1c(OC)c(c(OC)c(c1)C2)C)C)C)C)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 | 8.864 ± 0.003 Å |
b | 51.49 ± 0.04 Å |
c | 7.808 ± 0.003 Å |
α | 90° |
β | 100.81 ± 0.03° |
γ | 90° |
Cell volume | 3500 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2888 |
Residual factor for significantly intense reflections | 0.0977 |
Weighted residual factors for significantly intense reflections | 0.2078 |
Weighted residual factors for all reflections included in the refinement | 0.2821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4032024.html
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Users of the data should acknowledge the original authors of the
structural data.