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Information card for entry 7102736
Preview
Coordinates | 7102736.cif |
---|---|
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 | C70 H92 B3 N3 O7 |
Calculated formula | C70 H92 B3 N3 O7 |
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 | 11.8178 ± 0.0006 Å |
b | 13.8784 ± 0.0007 Å |
c | 23.1363 ± 0.0012 Å |
α | 79.678 ± 0.001° |
β | 79.478 ± 0.001° |
γ | 65.283 ± 0.001° |
Cell volume | 3366.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0937 |
Residual factor for significantly intense reflections | 0.0744 |
Weighted residual factors for significantly intense reflections | 0.168 |
Weighted residual factors for all reflections included in the refinement | 0.1784 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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