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Information card for entry 7229020
Preview
Coordinates | 7229020.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | anti-N-methyl-4,7-bis(methoxymethyl)norcantharimide |
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Chemical name | anti-4,7-bis(methoxymethyl)-2-methylhexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
Formula | C13 H19 N O5 |
Calculated formula | C13 H19 N O5 |
SMILES | C1(=O)N(C(=O)[C@@H]2[C@@]3(CC[C@]([C@H]12)(O3)COC)COC)C |
Title of publication | Efficient route for the construction of polycyclic systems from bioderived HMF |
Authors of publication | Kucherov, Fedor; Galkin, Konstantin; Gordeev, Evgeniy; Ananikov, Valentine |
Journal of publication | Green Chem. |
Year of publication | 2017 |
a | 10.389 ± 0.002 Å |
b | 15.957 ± 0.003 Å |
c | 8.4911 ± 0.0017 Å |
α | 90° |
β | 111.16 ± 0.03° |
γ | 90° |
Cell volume | 1312.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1043 |
Residual factor for significantly intense reflections | 0.0878 |
Weighted residual factors for significantly intense reflections | 0.2002 |
Weighted residual factors for all reflections included in the refinement | 0.2168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.9699 Å |
Diffraction radiation type | synchrotron |
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/7229020.html
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Users of the data should acknowledge the original authors of the
structural data.