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Information card for entry 4026736
Preview
Coordinates | 4026736.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-(4-Nitrophenyl)-3,4,8,9-tetraphenyl-5,7-dioxa-1-azabicylo[4.4.1]undeca-3,8- diene-2,10-dione |
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Formula | C38 H26 N2 O6 |
Calculated formula | C38 H26 N2 O6 |
Title of publication | Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles |
Authors of publication | Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 9344 - 9352 |
a | 9.5212 ± 0.0003 Å |
b | 10.8122 ± 0.0004 Å |
c | 28.4537 ± 0.0011 Å |
α | 90° |
β | 94.394 ± 0.01° |
γ | 90° |
Cell volume | 2920.56 ± 0.19 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.067 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1369 |
Weighted residual factors for all reflections included in the refinement | 0.1482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026736.html
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