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Information card for entry 4028880
Preview
Coordinates | 4028880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H38 Cl6 F6 N4 O2 |
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Calculated formula | C38 H38 Cl6 F6 N4 O2 |
SMILES | c1(c(c(cc2ccccc12)C1(N[C@@H]2[C@@H](N1)CCCC2)C(F)(F)F)O)c1c(c(cc2ccccc12)C1(N[C@@H]2[C@@H](N1)CCCC2)C(F)(F)F)O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol |
Authors of publication | Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 12671 - 12680 |
a | 18.621 ± 0.006 Å |
b | 9.489 ± 0.003 Å |
c | 11.431 ± 0.003 Å |
α | 90° |
β | 96.732 ± 0.008° |
γ | 90° |
Cell volume | 2005.9 ± 1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1 |
Residual factor for significantly intense reflections | 0.0882 |
Weighted residual factors for significantly intense reflections | 0.1975 |
Weighted residual factors for all reflections included in the refinement | 0.2049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/4028880.html
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Users of the data should acknowledge the original authors of the
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