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Information card for entry 4068499
Preview
Coordinates | 4068499.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C108 H106 B F15 N2 O5 Zn2 |
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Calculated formula | C108 H106 B F15 N2 O5 Zn2 |
SMILES | [Zn]1([O]2[Zn]345([n]6cccc7ccc8c([n]4ccc8)c67)[O]1c1c4Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc1cc(c4)C(C)(C)C)c8[O]3Cc1ccccc1)C(C)(C)C)c27)C(C)(C)C)c6[O]5Cc1ccccc1)C(C)(C)C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)O.c1ccccc1C.c1ccccc1C.CCCCC |
Title of publication | Stepwise Boron-to-Zinc C6F5Group Transfer in a Zn−Calixarene System |
Authors of publication | Kotzen, Natalie; Goldberg, Israel; Vigalok, Arkadi |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 929 |
a | 19.7927 ± 0.0004 Å |
b | 23.0224 ± 0.0004 Å |
c | 23.2288 ± 0.0005 Å |
α | 116.426 ± 0.0012° |
β | 90.0934 ± 0.0008° |
γ | 90.4044 ± 0.0017° |
Cell volume | 9478.5 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.1231 |
Residual factor for significantly intense reflections | 0.089 |
Weighted residual factors for significantly intense reflections | 0.1945 |
Weighted residual factors for all reflections included in the refinement | 0.2116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
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/4068499.html
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Users of the data should acknowledge the original authors of the
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