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Information card for entry 2242626
Preview
Coordinates | 2242626.cif |
---|---|
Structure factors | 2242626.hkl |
Original IUCr paper | HTML |
Chemical name | (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>S</i>R)-5-Oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acid |
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Formula | C24 H21 N O4 |
Calculated formula | C24 H21 N O4 |
Title of publication | IMDAV reaction between phenylmaleic anhydride and thienyl(furyl)allylamines: synthesis and molecular structure of (3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxothieno- and (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acids |
Authors of publication | Toze, Flavien A. A.; Nadirova, Maryana A.; Mertsalov, Dmitriy F.; Sokolova, Julya S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 10 |
Pages of publication | 1400 - 1404 |
a | 8.1851 ± 0.0016 Å |
b | 11.025 ± 0.002 Å |
c | 11.795 ± 0.002 Å |
α | 99.14 ± 0.03° |
β | 92.51 ± 0.03° |
γ | 107.99 ± 0.03° |
Cell volume | 994.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0502 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1263 |
Weighted residual factors for all reflections included in the refinement | 0.1287 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.81182 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242626.html
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Users of the data should acknowledge the original authors of the
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