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Information card for entry 1563138
Preview
Coordinates | 1563138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102.1 H86.2 B Cl2.2 F24 N O10 |
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Calculated formula | C101 H84 B F24 N O10 |
SMILES | O(c1c2Cc3c(OC)ccc4c(c(OC)ccc34)Cc3c4ccc(OC)c(c4ccc3OC)Cc3c4ccc(OC)c(c4ccc3OC)Cc3c4c(c(c(OC)cc4)Cc4c(c2ccc4OC)cc1)ccc3OC)C.[N+](C)(C)(C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes |
Authors of publication | DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 21.686 ± 0.011 Å |
b | 22.528 ± 0.01 Å |
c | 22.906 ± 0.007 Å |
α | 81.367 ± 0.006° |
β | 80.862 ± 0.014° |
γ | 68.83 ± 0.03° |
Cell volume | 10250 ± 8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2416 |
Residual factor for significantly intense reflections | 0.1565 |
Weighted residual factors for significantly intense reflections | 0.3939 |
Weighted residual factors for all reflections included in the refinement | 0.4607 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7 Å |
Diffraction radiation type | Synchrotron |
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/1563138.html
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