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Information card for entry 1563139
Preview
Coordinates | 1563139.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C137.7 H105.4 B2 Cl1.4 F48 N2 O10 |
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Calculated formula | C137.7 H105.4 B2 Cl1.4 F48 N2 O10 |
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 | 38.56 ± 0.03 Å |
b | 17.306 ± 0.002 Å |
c | 22.875 ± 0.007 Å |
α | 90° |
β | 120.862 ± 0.015° |
γ | 90° |
Cell volume | 13103 ± 11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0959 |
Residual factor for significantly intense reflections | 0.0646 |
Weighted residual factors for significantly intense reflections | 0.1691 |
Weighted residual factors for all reflections included in the refinement | 0.202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7 Å |
Diffraction radiation type | Synchrotron |
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/1563139.html
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