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Information card for entry 4038964
Preview
| Coordinates | 4038964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 N2 O4 |
|---|---|
| Calculated formula | C19 H16 N2 O4 |
| Title of publication | Rearrangements of 3H-PyrazolesAdducts of Dimethyl Acetylenedicarboxylate with Diphenyldiazomethane and 9-Diazofluorene |
| Authors of publication | Vasin, V.A.; Razin, V.V.; Bezrukova, E.V.; Popkova, Yu.A.; Somov, N.V. |
| Journal of publication | Russian Journal of Organic Chemistry |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 892 - 900 |
| a | 9.6641 ± 0.0004 Å |
| b | 10.3573 ± 0.0004 Å |
| c | 10.5328 ± 0.0005 Å |
| α | 117.634 ± 0.004° |
| β | 110.058 ± 0.004° |
| γ | 94.538 ± 0.003° |
| Cell volume | 840.65 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0745 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/4038964.html
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Users of the data should acknowledge the original authors of the
structural data.