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Information card for entry 1551539
Preview
Coordinates | 1551539.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H57 Cl3 F3 N O2 Si |
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Calculated formula | C56 H57 Cl3 F3 N O2 Si |
SMILES | c1(c(c(c(c(c1c1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccc(OC)cc1)c1ccc(cc1)C(C)(C)C)c1ccncc1)c1ccc(cc1)C(O[Si](C(C)(C)C)(C)C)C.ClC(Cl)Cl |
Title of publication | Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis |
Authors of publication | Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi |
Journal of publication | Nature Chemistry |
Year of publication | 2015 |
Journal volume | 7 |
Pages of publication | 227 - 233 |
a | 11.095 ± 0.003 Å |
b | 15.395 ± 0.005 Å |
c | 16.048 ± 0.007 Å |
α | 86.404 ± 0.019° |
β | 88.39 ± 0.02° |
γ | 71.517 ± 0.018° |
Cell volume | 2594.5 ± 1.6 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.1163 |
Residual factor for significantly intense reflections | 0.0888 |
Weighted residual factors for significantly intense reflections | 0.2479 |
Weighted residual factors for all reflections included in the refinement | 0.2685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1551539.html
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