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Information card for entry 2300501
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| Coordinates | 2300501.cif |
|---|---|
| Structure factors | 2300501.hkl |
| Original paper (by DOI) | HTML |
| Formula | C7 H10 N2 O2 |
|---|---|
| Calculated formula | C7 H10 N2 O2 |
| SMILES | C(=O)(C=C)NCNC(=O)C=C |
| Title of publication | Structural investigation of <i>N</i>,<i>N</i>'-methylenebisacrylamide <i>via</i> X-ray diffraction assisted by crystal structure prediction |
| Authors of publication | Graiff, Claudia; Pontiroli, Daniele; Bergamonti, Laura; Cavallari, Chiara; Lottici, Pier Paolo; Predieri, Giovanni |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2015 |
| Journal volume | 48 |
| Journal issue | 2 |
| Pages of publication | 550 - 557 |
| a | 17.822 ± 0.012 Å |
| b | 4.85 ± 0.003 Å |
| c | 19.783 ± 0.014 Å |
| α | 90° |
| β | 102.37 ± 0.009° |
| γ | 90° |
| Cell volume | 1670.3 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1233 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1983 |
| Weighted residual factors for all reflections included in the refinement | 0.2281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181919 (current) | 2016-04-06 | hkl/2/30/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/30/05 |
2300501.cif 2300501.hkl |
| 181326 | 2016-04-03 | hkl/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/30. |
2300501.cif 2300501.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300501.cif 2300501.hkl |
| 134355 | 2015-03-25 | cif/ hkl/ Adding structures of 2300501 via cif-deposit CGI script. |
2300501.cif 2300501.hkl |
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Users of the data should acknowledge the original authors of the
structural data.