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Information card for entry 2240408
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Coordinates | 2240408.cif |
---|---|
Structure factors | 2240408.hkl |
Original IUCr paper | HTML |
Common name | Gossypol hemiacetal tetramethyl ether |
---|---|
Chemical name | 5,5'-Diisopropyl-2,2',3,3'-tetramethoxy-7,7'-dimethyl-2<i>H</i>,2'<i>H</i>-8,8'-bi[naphtho[1,8-<i>bc</i>]furan]-4,4'-diol |
Formula | C34 H38 O8 |
Calculated formula | C34 H38 O8 |
SMILES | c12c(c(cc3c(c(c(c(c13)[C@@H](O2)OC)OC)O)C(C)C)C)c1c2c3c(c(c(c(c3cc1C)C(C)C)O)OC)[C@@H](O2)OC.c12c(c(cc3c(c(c(c(c13)[C@H](O2)OC)OC)O)C(C)C)C)c1c2c3c(c(c(c(c3cc1C)C(C)C)O)OC)[C@H](O2)OC |
Title of publication | Molecular and crystal structure of gossypol tetramethyl ether with an unknown solvate |
Authors of publication | Honkeldieva, Muhabbat; Talipov, Samat; Mardanov, Rustam; Ibragimov, Bakhtiyar |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 2 |
Pages of publication | 184 - 187 |
a | 19.7086 ± 0.0005 Å |
b | 20.3099 ± 0.0007 Å |
c | 8.8443 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3540.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1004 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1426 |
Weighted residual factors for all reflections included in the refinement | 0.1618 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2240408.html
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