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Information card for entry 7246145
Preview
Coordinates | 7246145.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (5-Benzoyl-4-(methoxycarbonyl)-3a1,6a-dihydro-1H,3H,6H,7H-3a,6:7,9adiepoxybenzo[ de]isochromene-6,7-diyl)bis(methylene) dibenzoate |
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Formula | C37 H30 O10 |
Calculated formula | C37 H30 O10 |
Title of publication | Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions |
Authors of publication | Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P. |
Journal of publication | Green Chemistry |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 3 |
Pages of publication | 1045 - 1055 |
a | 10.361 ± 0.0002 Å |
b | 13.355 ± 0.0003 Å |
c | 13.4649 ± 0.0003 Å |
α | 62.271 ± 0.002° |
β | 70.487 ± 0.002° |
γ | 70.729 ± 0.002° |
Cell volume | 1520.04 ± 0.06 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1665 |
Weighted residual factors for all reflections included in the refinement | 0.1688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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