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Information card for entry 4026165
Preview
Coordinates | 4026165.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C77 H101 B2 Cl3 N2 O8 |
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Calculated formula | C77 H101 B2 Cl3 N2 O8 |
SMILES | [B]123Oc4c(c5ccccc5cc4CO1)c1c4O[B]5(OCc4cc4c1cccc4)Oc1c(c4ccccc4cc1CO5)c1c(O2)c(cc2c1cccc2)CO3.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(Cl)(Cl)Cl |
Title of publication | Synthesis and Application of a Chiral Diborate |
Authors of publication | Yvonne Loewer; Christine Weiss; Akkattu T. Biju; Roland Fröhlich; Frank Glorius |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 2324 - 2327 |
a | 11.4097 ± 0.0004 Å |
b | 13.4664 ± 0.0004 Å |
c | 23.539 ± 0.0007 Å |
α | 90° |
β | 98.669 ± 0.002° |
γ | 90° |
Cell volume | 3575.4 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.046 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1076 |
Weighted residual factors for all reflections included in the refinement | 0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4026165.html
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