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Information card for entry 7102739
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7102739.cif |
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Original paper (by DOI) | HTML |
Common name | Trimethoxy-(tris-(mu-(3-phenyl-kC)imine-kN)methyl-2-(3,5-di- tert-butyl)phenolate-kO)triboro' |
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Chemical name | Trimethoxy-[tris-[mu-(3-phenyl-kC)imine-kN]methyl-2-(3,5-di-tert- butyl)phenolate-kO)triboro' |
Formula | C77.33 H96 B2.67 N2.67 O10.67 |
Calculated formula | C77.36 H96 B2.66667 N2.66667 O10.6756 |
Title of publication | Boron-nitrogen macrocycles: a new generation of calix[3]arenes. |
Authors of publication | Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 24 |
Pages of publication | 2834 - 2835 |
a | 25.6586 ± 0.0013 Å |
b | 25.6586 ± 0.0013 Å |
c | 25.6586 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 16892.7 ± 1.5 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 205 |
Hermann-Mauguin space group symbol | P a -3 |
Hall space group symbol | -P 2ac 2ab 3 |
Residual factor for all reflections | 0.1079 |
Residual factor for significantly intense reflections | 0.1072 |
Weighted residual factors for significantly intense reflections | 0.2334 |
Weighted residual factors for all reflections included in the refinement | 0.2338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
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/7102739.html
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Users of the data should acknowledge the original authors of the
structural data.