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Information card for entry 7232752
Preview
| Coordinates | 7232752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | furfurylamine |
|---|---|
| Chemical name | 1-(2-furyl)methylamine |
| Formula | C5 H7 N O |
| Calculated formula | C5 H7 N O |
| Title of publication | In situ cryocrystallization and solid-state structures of furfural and some derivatives |
| Authors of publication | Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 21 |
| Pages of publication | 3295 |
| a | 5.8006 ± 0.0013 Å |
| b | 7.8838 ± 0.0018 Å |
| c | 11.355 ± 0.003 Å |
| α | 94.479 ± 0.004° |
| β | 92.173 ± 0.004° |
| γ | 96.464 ± 0.004° |
| Cell volume | 513.8 ± 0.2 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 | 0.0948 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.2381 |
| Weighted residual factors for all reflections included in the refinement | 0.2524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223690 (current) | 2019-11-07 | cif/ Updating files of 7232751, 7232752, 7232753, 7232754 Original log message: Adding full bibliography for 7232751--7232754.cif. |
7232752.cif |
| 215024 | 2019-05-10 | cif/ Adding structures of 7232751, 7232752, 7232753, 7232754 via cif-deposit CGI script. |
7232752.cif |
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Users of the data should acknowledge the original authors of the
structural data.